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

Systemtic Name: N-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenylbenzamide Traditional Name: N-ethyl-4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]-N-phenyl-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S/c1-2-28(21-8-4-3-5-9-21)24(31)19-12-14-20(15-13-19)26-25(34)27-23(30)16-11-18-7-6-10-22(17-18)29(32)33/h3-17H,2H2,1H3,(H2,26,27,30,34)/b16-11+