(E)-3-(2-methoxyphenyl)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(3-isopentyloxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(3-isoamoxyphenyl)thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C22H26N2O3S/c1-16(2)13-14-27-19-9-6-8-18(15-19)23-22(28)24-21(25)12-11-17-7-4-5-10-20(17)26-3/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,28)/b12-11+