1-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-3-(diphenylmethyl)thiourea

Systemtic Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-3-(diphenylmethyl)thiourea Openeye Name: 1-benzhydryl-3-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]-3-(diphenylmethyl)thiourea IUPAC Name: 1-benzhydryl-3-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-benzhydryl-3-(1-o-veratrylpyrazol-4-yl)thiourea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-31-23-15-9-14-21(25(23)32-2)17-30-18-22(16-27-30)28-26(33)29-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-16,18,24H,17H2,1-2H3,(H2,28,29,33)