N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide

Systemtic Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide Openeye Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide CAS Name: N-[3-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide Traditional Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-3-phenyl-propionamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H27N3O4S/c1-33-23-14-11-20(17-24(23)34-2)13-16-26(32)30-27(35)29-22-10-6-9-21(18-22)28-25(31)15-12-19-7-4-3-5-8-19/h3-11,13-14,16-18H,12,15H2,1-2H3,(H,28,31)(H2,29,30,32,35)/b16-13+