1-(3,4-dimethoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[[3-(1-imidazolylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[3-(imidazol-1-ylmethyl)benzyl]thiourea Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC(=C2)CN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC(=C2)CN3C=CN=C3)OC

InChI

InChI=1S/C20H22N4O2S/c1-25-18-7-6-17(11-19(18)26-2)23-20(27)22-12-15-4-3-5-16(10-15)13-24-9-8-21-14-24/h3-11,14H,12-13H2,1-2H3,(H2,22,23,27)