N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]butyramide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-11(2)9-14(21)20-16(23)19-13-8-6-7-12(10-13)18-15(22)17(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,18,22)(H2,19,20,21,23)