O-(1H-pyrrolo[2,3-b]pyridin-5-yl) N-[3-(2-acetamidoethyl)-2-phenyl-cyclohexyl]carbamothioate

Systemtic Name: O-(1H-pyrrolo[2,3-b]pyridin-5-yl) N-[3-(2-acetamidoethyl)-2-phenyl-cyclohexyl]carbamothioate Openeye Name: O-(1H-pyrrolo[2,3-b]pyridin-5-yl) N-[3-(2-acetamidoethyl)-2-phenyl-cyclohexyl]carbamothioate CAS Name: N-[3-(2-acetamidoethyl)-2-phenylcyclohexyl]carbamothioic acid O-(1H-pyrrolo[2,3-b]pyridin-5-yl) ester IUPAC Name: O-(1H-pyrrolo[2,3-b]pyridin-5-yl) N-[3-(2-acetamidoethyl)-2-phenylcyclohexyl]carbamothioate Traditional Name: N-[3-(2-acetamidoethyl)-2-phenyl-cyclohexyl]thiocarbamic acid O-(1H-pyrrolo[2,3-b]pyridin-5-yl) ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1CCCC(C1C2=CC=CC=C2)NC(=S)OC3=CN=C4C(=C3)C=CN4

Isomeric SMILES

CC(=O)NCCC1CCCC(C1C2=CC=CC=C2)NC(=S)OC3=CN=C4C(=C3)C=CN4

InChI

InChI=1S/C24H28N4O2S/c1-16(29)25-12-10-18-8-5-9-21(22(18)17-6-3-2-4-7-17)28-24(31)30-20-14-19-11-13-26-23(19)27-15-20/h2-4,6-7,11,13-15,18,21-22H,5,8-10,12H2,1H3,(H,25,29)(H,26,27)(H,28,31)