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

Systemtic Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 4-[[(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=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S/c1-17(19-7-3-2-4-8-19)26-24(31)20-11-13-21(14-12-20)27-25(34)28-23(30)15-10-18-6-5-9-22(16-18)29(32)33/h2-17H,1H3,(H,26,31)(H2,27,28,30,34)/b15-10+