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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C25H31N3S MolecularWeight: 405.59874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCC3=C(C2CC)NC4=CC=CC=C34)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCC3=C(C2CC)NC4=CC=CC=C34)C

InChI

InChI=1S/C25H31N3S/c1-4-6-9-18-12-13-21(17(3)16-18)27-25(29)28-15-14-20-19-10-7-8-11-22(19)26-24(20)23(28)5-2/h7-8,10-13,16,23,26H,4-6,9,14-15H2,1-3H3,(H,27,29)