methyl 4-[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-methyl-2H-benzo[g][1,3]benzothiazol-2-yl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=C1C=CC3=CC=CC=C32)NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C(SC2=C1C=CC3=CC=CC=C32)NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S2/c1-25-17-12-11-13-5-3-4-6-16(13)18(17)30-22(25)24-21(29)23-19(26)14-7-9-15(10-8-14)20(27)28-2/h3-12,22H,1-2H3,(H2,23,24,26,29)