1-[[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-[(2-chlorophenyl)methylamino]-3-nitro-benzoyl]amino]thiourea CAS Name: 1-[[[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-[(2-chlorobenzyl)amino]-3-nitro-benzoyl]amino]thiourea Formula: C22H20ClN5O3S MolecularWeight: 469.9439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O3S/c23-18-9-5-4-8-17(18)14-24-19-11-10-16(12-20(19)28(30)31)21(29)26-27-22(32)25-13-15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,26,29)(H2,25,27,32)