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

Systemtic Name: methyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H19N3O3S2/c1-14-3-12-19-20(13-14)32-22(26-19)16-8-10-18(11-9-16)25-24(31)27-21(28)15-4-6-17(7-5-15)23(29)30-2/h3-13H,1-2H3,(H2,25,27,28,31)