(E)-3-(4-methoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-isopentyloxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-isoamoxyphenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-16(2)14-15-27-20-11-7-18(8-12-20)23-22(28)24-21(25)13-6-17-4-9-19(26-3)10-5-17/h4-13,16H,14-15H2,1-3H3,(H2,23,24,25,28)/b13-6+