(E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(4-butoxyanilino)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-butoxyphenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-4-5-14-28-18-10-8-17(9-11-18)23-22(29)24-21(25)13-7-16-6-12-19(26-2)20(15-16)27-3/h6-13,15H,4-5,14H2,1-3H3,(H2,23,24,25,29)/b13-7+