N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H23N3O2S/c1-4-5-14(20)17-12-6-8-13(9-7-12)18-16(22)19-15(21)10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H2,18,19,21,22)