ethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(p-toluoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H17N3O3S2/c1-3-25-17(24)13-8-9-14-15(10-13)27-19(20-14)22-18(26)21-16(23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H2,20,21,22,23,26)