(E)-N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[cyclohexyl(4-hydroxybutyl)amino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[cyclohexyl(4-hydroxybutyl)thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCCCO)C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCCCO)C2CCCCC2

InChI

InChI=1S/C21H30N2O2S/c1-17-9-11-18(12-10-17)13-14-20(25)22-21(26)23(15-5-6-16-24)19-7-3-2-4-8-19/h9-14,19,24H,2-8,15-16H2,1H3,(H,22,25,26)/b14-13+