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

Systemtic Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-3-14-26(15-4-2)22(29)18-6-5-7-19(16-18)24-23(32)25-21(28)13-10-17-8-11-20(12-9-17)27(30)31/h5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25,28,32)/b13-10+