1-[2-methoxy-5-[(4-nitrophenyl)carbamothioylamino]phenyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-methoxy-5-[(4-nitrophenyl)carbamothioylamino]phenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-methoxy-5-[(4-nitrophenyl)carbamothioylamino]phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-methoxy-5-[[(4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-methoxy-5-[(4-nitrophenyl)carbamothioylamino]phenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-methoxy-5-[(4-nitrophenyl)thiocarbamoylamino]phenyl]-3-(4-nitrophenyl)thiourea Formula: C21H18N6O5S2 MolecularWeight: 498.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O5S2/c1-32-19-11-6-15(24-20(33)22-13-2-7-16(8-3-13)26(28)29)12-18(19)25-21(34)23-14-4-9-17(10-5-14)27(30)31/h2-12H,1H3,(H2,22,24,33)(H2,23,25,34)