N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxy-benzamide

Systemtic Name: N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Openeye Name: N-[2-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxy-benzamide CAS Name: N-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-decoxybenzamide IUPAC Name: N-[2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxybenzamide Traditional Name: N-[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Formula: C33H38ClN3O3S2 MolecularWeight: 624.25612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C33H38ClN3O3S2/c1-3-4-5-6-7-8-9-10-19-40-27-16-12-24(13-17-27)32(39)35-26-15-18-28-30(21-26)42-33(37-28)41-22-31(38)36-29-20-25(34)14-11-23(29)2/h11-18,20-21H,3-10,19,22H2,1-2H3,(H,35,39)(H,36,38)