3-methyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide Openeye Name: 3-methyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-(isobutyrylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-10(2)9-14(20)17-12-5-7-13(8-6-12)18-16(22)19-15(21)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,17,20)(H2,18,19,21,22)