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

Systemtic Name: N-butyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-butyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-butyl-4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-4-5-14-24-22(28)17-8-10-18(11-9-17)25-23(31)26-21(27)13-7-16-6-12-19(29-2)20(15-16)30-3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)(H2,25,26,27,31)/b13-7+