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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

InChI

InChI=1S/C21H21N3O2S/c1-2-17-20-15(14-5-3-4-6-16(14)23-20)9-10-24(17)21(27)22-13-7-8-18-19(11-13)26-12-25-18/h3-8,11,17,23H,2,9-10,12H2,1H3,(H,22,27)