1-[6-chloranyl-1-hexadecyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl]-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea

Systemtic Name: 1-[6-chloranyl-1-hexadecyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl]-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea Openeye Name: 1-(6-chloro-1-hexadecyl-1-methyl-2,2-dioxo-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl)-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea CAS Name: 1-(6-chloro-1-hexadecyl-1-methyl-2,2-dioxo-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl)-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea IUPAC Name: 1-(6-chloro-1-hexadecyl-1-methyl-2,2-dioxo-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl)-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea Traditional Name: 1-(1-cetyl-6-chloro-2,2-diketo-1-methyl-2$l^{6}-thia-1-azoniaspiro[2.5]octa-5,7-dien-5-yl)-3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]urea Formula: C33H51ClN5O3S2+ MolecularWeight: 665.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(C2(S1(=O)=O)CC(=C(C=C2)Cl)NC(=O)NN=C3N(C4=CC=CC=C4S3)CC)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(C2(S1(=O)=O)CC(=C(C=C2)Cl)NC(=O)N/N=C/3\N(C4=CC=CC=C4S3)CC)C

InChI

InChI=1S/C33H50ClN5O3S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-39(3)33(44(39,41)42)24-23-27(34)28(26-33)35-31(40)36-37-32-38(5-2)29-21-18-19-22-30(29)43-32/h18-19,21-24H,4-17,20,25-26H2,1-3H3,(H-,35,36,40)/p+1/b37-32+