3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzamide CAS Name: 3-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4S/c1-30-20-13-18(26(28)29)10-11-19(20)25-22(31)24-17-9-5-8-16(12-17)21(27)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,27)(H2,24,25,31)