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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S/c30-23(14-13-19-9-6-10-20(17-19)29(32)33)28-25(34)27-22-12-5-4-11-21(22)24(31)26-16-15-18-7-2-1-3-8-18/h1-14,17H,15-16H2,(H,26,31)(H2,27,28,30,34)/b14-13+