N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)carbothioyl]-4-methoxy-benzamide

Systemtic Name: N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)carbothioyl]-4-methoxy-benzamide Openeye Name: N-(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)-4-methoxy-benzamide CAS Name: N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)-4-methoxybenzamide Traditional Name: N-(1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioyl)-4-methoxy-benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4N2

InChI

InChI=1S/C22H23N3O2S/c1-3-19-20-17(16-6-4-5-7-18(16)23-20)12-13-25(19)22(28)24-21(26)14-8-10-15(27-2)11-9-14/h4-11,19,23H,3,12-13H2,1-2H3,(H,24,26,28)