N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C17H22N4O2S2/c1-4-5-14(22)21-17-19-12-7-6-11(9-13(12)25-17)18-16(24)20-15(23)8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,21,22)(H2,18,20,23,24)