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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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