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

Systemtic Name: 1-[[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[4-[(2-chlorophenyl)methylamino]-3-nitro-benzoyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[4-[(2-chlorobenzyl)amino]-3-nitro-benzoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C22H20ClN5O4S MolecularWeight: 485.9433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O4S/c1-32-17-7-4-6-16(12-17)25-22(33)27-26-21(29)14-9-10-19(20(11-14)28(30)31)24-13-15-5-2-3-8-18(15)23/h2-12,24H,13H2,1H3,(H,26,29)(H2,25,27,33)