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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C23H18N4O4S/c28-21(14-13-16-7-6-10-18(15-16)27(30)31)26-23(32)25-20-12-5-4-11-19(20)22(29)24-17-8-2-1-3-9-17/h1-15H,(H,24,29)(H2,25,26,28,32)/b14-13+