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

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]-N-phenyl-benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O4S/c28-21(15-12-16-10-13-18(14-11-16)27(30)31)26-23(32)25-20-9-5-4-8-19(20)22(29)24-17-6-2-1-3-7-17/h1-15H,(H,24,29)(H2,25,26,28,32)/b15-12+