methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylcarbothioylamino)benzoate

Systemtic Name: methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioylamino)benzoate CAS Name: 2-[[sulfanylidene(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioylamino)benzoate Traditional Name: 2-(1,3,4,9-tetrahydro-$b-carboline-2-carbothioylamino)benzoic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=C(C2)NC4=CC=CC=C34

InChI

InChI=1S/C20H19N3O2S/c1-25-19(24)15-7-3-5-9-17(15)22-20(26)23-11-10-14-13-6-2-4-8-16(13)21-18(14)12-23/h2-9,21H,10-12H2,1H3,(H,22,26)