methyl 4-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(1-methyl-2-benzo[e][1,3]benzothiazolylidene)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H17N3O3S2/c1-25-18-16-6-4-3-5-13(16)11-12-17(18)30-22(25)24-21(29)23-19(26)14-7-9-15(10-8-14)20(27)28-2/h3-12H,1-2H3,(H,23,26,29)