1-(3-chloranyl-4-methyl-phenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-11-4-5-13(9-14(11)19)21-18(27)20-7-6-12-8-16(25-2)17(26-3)10-15(12)22(23)24/h4-5,8-10H,6-7H2,1-3H3,(H2,20,21,27)