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

Systemtic Name: N-(4-tert-butylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(4-tert-butylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(4-tert-butylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C24H29N3S MolecularWeight: 391.57216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4N2

InChI

InChI=1S/C24H29N3S/c1-5-21-22-19(18-8-6-7-9-20(18)26-22)14-15-27(21)23(28)25-17-12-10-16(11-13-17)24(2,3)4/h6-13,21,26H,5,14-15H2,1-4H3,(H,25,28)