1-(3-nitrophenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]butyl]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]butyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]butyl]thiourea CAS Name: 1-[4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]butyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]butyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-[4-[(4-nitrophenyl)thiocarbamoylamino]butyl]thiourea Formula: C18H20N6O4S2 MolecularWeight: 448.5192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4S2/c25-23(26)15-8-6-13(7-9-15)21-17(29)19-10-1-2-11-20-18(30)22-14-4-3-5-16(12-14)24(27)28/h3-9,12H,1-2,10-11H2,(H2,19,21,29)(H2,20,22,30)