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

Systemtic Name: methyl 2-(2,3,4,9-tetrahydropyrido[2,3-b]indol-1-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(2,3,4,9-tetrahydropyrido[2,3-b]indole-1-carbothioylamino)benzoate CAS Name: 2-[[sulfanylidene(2,3,4,9-tetrahydropyrido[2,3-b]indol-1-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(2,3,4,9-tetrahydropyrido[2,3-b]indole-1-carbothioylamino)benzoate Traditional Name: 2-(2,3,4,9-tetrahydropyrid[2,3-b]indole-1-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)N2CCCC3=C2NC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCC3=C2NC4=CC=CC=C34

InChI

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