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

Systemtic Name: 2-[(2-nitrophenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(2-nitrobenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(2-nitrobenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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