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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-nitrophenyl)phenyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-nitrophenyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-nitrophenyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-nitrophenyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[4-(2-nitrophenyl)phenyl]thiourea Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N3O4S/c1-29-21-12-7-16(15-22(21)30-2)13-14-24-23(31)25-18-10-8-17(9-11-18)19-5-3-4-6-20(19)26(27)28/h3-12,15H,13-14H2,1-2H3,(H2,24,25,31)