1-(3-nitrophenyl)-3-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]thiourea CAS Name: 1-[2-[[(3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-[2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]thiourea Formula: C16H16N6O4S2 MolecularWeight: 420.46604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4S2/c23-21(24)13-6-4-11(5-7-13)19-15(27)17-8-9-18-16(28)20-12-2-1-3-14(10-12)22(25)26/h1-7,10H,8-9H2,(H2,17,19,27)(H2,18,20,28)