2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H29N3O4S/c1-31(28(36)30-26(32)16-14-21-13-15-24(34-2)25(19-21)35-3)23-12-8-7-11-22(23)27(33)29-18-17-20-9-5-4-6-10-20/h4-16,19H,17-18H2,1-3H3,(H,29,33)(H,30,32,36)/b16-14+