1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-3-nitro-phenyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-3-nitrophenyl)thiourea Traditional Name: 1-homoveratryl-3-(2-methyl-3-nitro-phenyl)thiourea Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-12-14(5-4-6-15(12)21(22)23)20-18(26)19-10-9-13-7-8-16(24-2)17(11-13)25-3/h4-8,11H,9-10H2,1-3H3,(H2,19,20,26)