3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-18(20-8-5-4-6-9-20)28-26(32)21-10-7-11-22(17-21)29-27(35)30-25(31)15-13-19-12-14-23(33-2)24(16-19)34-3/h4-18H,1-3H3,(H,28,32)(H2,29,30,31,35)/b15-13+