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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-homoveratryl-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H26N4O2S/c1-30-23-11-10-18(14-24(23)31-2)12-13-26-25(32)28-21-15-27-29(17-21)16-20-8-5-7-19-6-3-4-9-22(19)20/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,26,28,32)