propan-2-yl 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: propan-2-yl 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopropyl 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 4-ethyl-6-[[ethylamino(sulfanylidene)methyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 4-ethyl-6-(ethylthiocarbamoylamino)-9H-$b-carboline-3-carboxylic acid isopropyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3=C(C=CC(=C3)NC(=S)NCC)NC2=CN=C1C(=O)OC(C)C

Isomeric SMILES

CCC1=C2C3=C(C=CC(=C3)NC(=S)NCC)NC2=CN=C1C(=O)OC(C)C

InChI

InChI=1S/C20H24N4O2S/c1-5-13-17-14-9-12(23-20(27)21-6-2)7-8-15(14)24-16(17)10-22-18(13)19(25)26-11(3)4/h7-11,24H,5-6H2,1-4H3,(H2,21,23,27)