S-methylsulfanyl 3-aminocarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate

Systemtic Name: S-methylsulfanyl 3-aminocarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate Openeye Name: S-methylsulfanyl 3-carbamoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate CAS Name: 3-carbamoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 3-carbamoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate Traditional Name: 3-carbamoyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioic acid S-(methylthio) ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)N1CC2=C(CC1C(=O)N)C3=CC=CC=C3N2

Isomeric SMILES

CSSC(=O)N1CC2=C(CC1C(=O)N)C3=CC=CC=C3N2

InChI

InChI=1S/C14H15N3O2S2/c1-20-21-14(19)17-7-11-9(6-12(17)13(15)18)8-4-2-3-5-10(8)16-11/h2-5,12,16H,6-7H2,1H3,(H2,15,18)