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

Systemtic Name: butyl 2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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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=CC=C3

Isomeric SMILES

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

InChI

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