3-[(3-nitrophenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(3-nitrophenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3-nitrophenyl)carbamothioylamino]benzamide CAS Name: 3-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(3-nitrophenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3-nitrophenyl)thiocarbamoylamino]benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c26-20(22-14-15-6-2-1-3-7-15)16-8-4-9-17(12-16)23-21(29)24-18-10-5-11-19(13-18)25(27)28/h1-13H,14H2,(H,22,26)(H2,23,24,29)