3-cyclohexyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[(2-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)21-16-10-7-11-17(14(16)2)22-20(26)23-19(25)13-12-15-8-5-4-6-9-15/h7,10-11,15H,3-6,8-9,12-13H2,1-2H3,(H,21,24)(H2,22,23,25,26)