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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C19H17N3O2S MolecularWeight: 351.42218

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c20-19(25)22-8-7-13-12-3-1-2-4-14(12)21-17(13)18(22)11-5-6-15-16(9-11)24-10-23-15/h1-6,9,18,21H,7-8,10H2,(H2,20,25)