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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CO3)OC

InChI

InChI=1S/C20H27N3O3S/c1-24-18-6-5-16(14-19(18)25-2)7-8-21-20(27)23-11-9-22(10-12-23)15-17-4-3-13-26-17/h3-6,13-14H,7-12,15H2,1-2H3,(H,21,27)