2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-nitrobenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-nitrobenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-nitrobenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S/c28-21(17-10-12-18(13-11-17)27(30)31)26-23(32)25-20-9-5-4-8-19(20)22(29)24-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,29)(H2,25,26,28,32)