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

Systemtic Name: methyl 4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[(1-isopropyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)amino]benzoate CAS Name: 4-[[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)amino]benzoate Traditional Name: 4-[(1-isopropyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioyl)amino]benzoic acid methyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=C(CCN1C(=S)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4N2

Isomeric SMILES

CC(C)C1C2=C(CCN1C(=S)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4N2

InChI

InChI=1S/C23H25N3O2S/c1-14(2)21-20-18(17-6-4-5-7-19(17)25-20)12-13-26(21)23(29)24-16-10-8-15(9-11-16)22(27)28-3/h4-11,14,21,25H,12-13H2,1-3H3,(H,24,29)