1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,3-diphenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-homoveratryl-thiourea Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

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