N-(4-ethoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C25H22N4O5S MolecularWeight: 490.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S/c1-2-34-20-13-11-18(12-14-20)26-24(31)21-8-3-4-9-22(21)27-25(35)28-23(30)15-10-17-6-5-7-19(16-17)29(32)33/h3-16H,2H2,1H3,(H,26,31)(H2,27,28,30,35)/b15-10+