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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenethyl-thiourea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-phenethylthiourea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenethyl-thiourea Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O4S/c1-25-17-12-15(16(22(23)24)13-18(17)26-2)9-11-21-19(27)20-10-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,20,21,27)