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

Systemtic Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(2-methyl-1,3-benzothiazol-6-yl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H15N3O3S2/c1-10-19-14-8-7-13(9-15(14)26-10)20-18(25)21-16(22)11-3-5-12(6-4-11)17(23)24-2/h3-9H,1-2H3,(H2,20,21,22,25)