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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-30(22-12-8-7-11-21(22)26(32)28-18-20-9-5-4-6-10-20)27(35)29-25(31)16-14-19-13-15-23(33-2)24(17-19)34-3/h4-17H,18H2,1-3H3,(H,28,32)(H,29,31,35)/b16-14+