3-[N-[(4-nitrophenyl)methyl]-C-phenyl-carbonimidoyl]-1,1-diphenyl-thiourea

Systemtic Name: 3-[N-[(4-nitrophenyl)methyl]-C-phenyl-carbonimidoyl]-1,1-diphenyl-thiourea Openeye Name: 3-[N-[(4-nitrophenyl)methyl]-C-phenyl-carbonimidoyl]-1,1-diphenyl-thiourea CAS Name: 3-[(4-nitrophenyl)methylimino-phenylmethyl]-1,1-diphenylthiourea IUPAC Name: 3-[N-[(4-nitrophenyl)methyl]-C-phenylcarbonimidoyl]-1,1-diphenylthiourea Traditional Name: 3-[N-(4-nitrobenzyl)-C-phenyl-carbonimidoyl]-1,1-diphenyl-thiourea Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O2S/c32-31(33)25-18-16-21(17-19-25)20-28-26(22-10-4-1-5-11-22)29-27(34)30(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2,(H,28,29,34)