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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

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