1-(2-chloranyl-5-nitro-phenyl)-3-[(4-dimethylaminophenyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4-dimethylaminophenyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4-dimethylaminophenyl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4-dimethylaminophenyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4-dimethylaminophenyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[4-(dimethylamino)benzyl]thiourea Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-20(2)12-5-3-11(4-6-12)10-18-16(24)19-15-9-13(21(22)23)7-8-14(15)17/h3-9H,10H2,1-2H3,(H2,18,19,24)