1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

InChI

InChI=1S/C20H22N4O2S2/c25-17-6-5-14(22-20(27)21-7-8-24-9-11-26-12-10-24)13-15(17)19-23-16-3-1-2-4-18(16)28-19/h1-6,13,23H,7-12H2,(H2,21,22,27)/p+1