propan-2-yl 2-[(2-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(2-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(2-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(o-toluoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C20H19N3O3S2/c1-11(2)26-18(25)13-8-9-15-16(10-13)28-20(21-15)23-19(27)22-17(24)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H2,21,22,23,24,27)