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

Systemtic Name: 1-ethyl-N-(2-phenylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: 1-ethyl-N-(2-phenylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: 1-ethyl-N-(2-phenylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: 1-ethyl-N-(2-phenylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-ethyl-N-(2-phenylphenyl)-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C26H25N3S MolecularWeight: 411.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C5N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C5N2

InChI

InChI=1S/C26H25N3S/c1-2-24-25-21(20-13-7-9-15-23(20)27-25)16-17-29(24)26(30)28-22-14-8-6-12-19(22)18-10-4-3-5-11-18/h3-15,24,27H,2,16-17H2,1H3,(H,28,30)