N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-naphthylmethyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(1-naphthylmethyl)piperazine-1-carbothioamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C26H31N3O2S/c1-30-24-11-10-20(18-25(24)31-2)12-13-27-26(32)29-16-14-28(15-17-29)19-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,18H,12-17,19H2,1-2H3,(H,27,32)