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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-phenacyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-phenacyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-phenacyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-phenacyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-phenacyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C27H23N3O3S MolecularWeight: 469.55482

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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)NCC(=O)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3S/c31-22(17-6-2-1-3-7-17)15-28-27(34)30-13-12-20-19-8-4-5-9-21(19)29-25(20)26(30)18-10-11-23-24(14-18)33-16-32-23/h1-11,14,26,29H,12-13,15-16H2,(H,28,34)