N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-ethyl-N-piperonyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

InChI

InChI=1S/C22H23N3O2S/c1-2-18-21-16(15-5-3-4-6-17(15)24-21)9-10-25(18)22(28)23-12-14-7-8-19-20(11-14)27-13-26-19/h3-8,11,18,24H,2,9-10,12-13H2,1H3,(H,23,28)