1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H18ClN3O3S/c1-10-7-11(2)16(14(18)8-10)20-17(25)19-9-15(22)12-3-5-13(6-4-12)21(23)24/h3-8,15,22H,9H2,1-2H3,(H2,19,20,25)