methyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S2/c1-10-3-8-13-14(9-10)26-18(19-13)21-17(25)20-15(22)11-4-6-12(7-5-11)16(23)24-2/h4-7,10H,3,8-9H2,1-2H3,(H2,19,20,21,22,25)