3-cyclohexyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]propionamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-3-18(24)22-17-13-16(11-9-14(17)2)21-20(26)23-19(25)12-10-15-7-5-4-6-8-15/h9,11,13,15H,3-8,10,12H2,1-2H3,(H,22,24)(H2,21,23,25,26)