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

Systemtic Name: N-(2-ethoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(2-ethoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-ethyl-N-o-phenetyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC3=CC=CC=C3OCC)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC3=CC=CC=C3OCC)C4=CC=CC=C4N2

InChI

InChI=1S/C22H25N3OS/c1-3-19-21-16(15-9-5-6-10-17(15)23-21)13-14-25(19)22(27)24-18-11-7-8-12-20(18)26-4-2/h5-12,19,23H,3-4,13-14H2,1-2H3,(H,24,27)