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

Systemtic Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(diphenylmethyl)thiourea Openeye Name: 1-benzhydryl-3-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-3-(diphenylmethyl)thiourea IUPAC Name: 1-benzhydryl-3-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiourea Traditional Name: 1-benzhydryl-3-(1-homoveratrylpyrazol-4-yl)thiourea Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N4O2S/c1-32-24-14-13-20(17-25(24)33-2)15-16-31-19-23(18-28-31)29-27(34)30-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,26H,15-16H2,1-2H3,(H2,29,30,34)