methyl 2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S2/c1-23-15(22)11-7-8-12-13(9-11)25-17(18-12)20-16(24)19-14(21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20,21,24)