N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thienylmethyl)piperazine-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-homoveratryl-4-(3-thenyl)piperazine-1-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)N2CCN(CC2)CC3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)N2CCN(CC2)CC3=CSC=C3)OC

InChI

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