4-methoxy-3-[(3-nitrophenyl)carbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 4-methoxy-3-[(3-nitrophenyl)carbamothioylamino]-N-phenyl-benzamide Openeye Name: 4-methoxy-3-[(3-nitrophenyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 4-methoxy-3-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 4-methoxy-3-[(3-nitrophenyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 4-methoxy-3-[(3-nitrophenyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-29-19-11-10-14(20(26)22-15-6-3-2-4-7-15)12-18(19)24-21(30)23-16-8-5-9-17(13-16)25(27)28/h2-13H,1H3,(H,22,26)(H2,23,24,30)