butyl 2-(thiophen-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(thiophen-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-thenoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H17N3O3S3/c1-2-3-8-24-16(23)11-6-7-12-14(10-11)27-18(19-12)21-17(25)20-15(22)13-5-4-9-26-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21,22,25)