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

Systemtic Name: N-(4-bromophenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(4-bromophenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(4-bromophenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(4-bromophenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: N-(4-bromophenyl)-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C20H20BrN3S MolecularWeight: 414.3619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3S/c1-2-18-19-16(15-5-3-4-6-17(15)23-19)11-12-24(18)20(25)22-14-9-7-13(21)8-10-14/h3-10,18,23H,2,11-12H2,1H3,(H,22,25)