N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-3-methylbutanamide Traditional Name: N-[4-(3-cyclohexylpropanoylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-15(2)14-20(26)22-17-9-11-18(12-10-17)23-21(27)24-19(25)13-8-16-6-4-3-5-7-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,22,26)(H2,23,24,25,27)