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

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-30(27(34)29-25(31)17-14-21-12-15-22(33-2)16-13-21)24-11-7-6-10-23(24)26(32)28-19-18-20-8-4-3-5-9-20/h3-17H,18-19H2,1-2H3,(H,28,32)(H,29,31,34)/b17-14+