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

Systemtic Name: ethyl 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylcarbothioylamino)benzoate Openeye Name: ethyl 3-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioylamino)benzoate CAS Name: 3-[[sulfanylidene(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioylamino)benzoate Traditional Name: 3-(1,3,4,9-tetrahydro-$b-carboline-2-carbothioylamino)benzoic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC3=C(C2)NC4=CC=CC=C34

InChI

InChI=1S/C21H21N3O2S/c1-2-26-20(25)14-6-5-7-15(12-14)22-21(27)24-11-10-17-16-8-3-4-9-18(16)23-19(17)13-24/h3-9,12,23H,2,10-11,13H2,1H3,(H,22,27)