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

Systemtic Name: butyl 2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-4-5-8-23-15(22)11-6-7-12-13(9-11)25-17(18-12)20-16(24)19-14(21)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,19,20,21,24)