(E)-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2S/c1-27-21-13-10-18(11-14-21)12-15-22(26)24-23(28)25(17-20-8-5-9-20)16-19-6-3-2-4-7-19/h2-4,6-7,10-15,20H,5,8-9,16-17H2,1H3,(H,24,26,28)/b15-12+