1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=S)NCCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=S)NCCC6=CC=CC=C6

InChI

InChI=1S/C27H25N3O2S/c33-27(28-14-12-18-6-2-1-3-7-18)30-15-13-21-20-8-4-5-9-22(20)29-25(21)26(30)19-10-11-23-24(16-19)32-17-31-23/h1-11,16,26,29H,12-15,17H2,(H,28,33)