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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-4-30(20-10-6-5-7-11-20)26(32)21-12-8-9-13-22(21)28-27(35)29-25(31)17-15-19-14-16-23(33-2)24(18-19)34-3/h5-18H,4H2,1-3H3,(H2,28,29,31,35)/b17-15+