3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S/c1-17(19-8-3-2-4-9-19)26-24(31)20-10-6-11-21(16-20)27-25(34)28-23(30)14-13-18-7-5-12-22(15-18)29(32)33/h2-17H,1H3,(H,26,31)(H2,27,28,30,34)/b14-13+