1-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]-3-(o-tolyl)thiourea Formula: C22H19ClN4O5S MolecularWeight: 486.92806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H19ClN4O5S/c1-13-5-3-4-6-16(13)24-22(33)26-25-21(28)14-7-9-19(20(11-14)31-2)32-18-10-8-15(23)12-17(18)27(29)30/h3-12H,1-2H3,(H,25,28)(H2,24,26,33)