S-quinolin-2-yl 5-azanyl-2-[[2-azanyl-3-(4-chlorophenyl)propanoyl]-methyl-amino]pentanethioate

Systemtic Name: S-quinolin-2-yl 5-azanyl-2-[[2-azanyl-3-(4-chlorophenyl)propanoyl]-methyl-amino]pentanethioate Openeye Name: S-(2-quinolyl) 5-amino-2-[[2-amino-3-(4-chlorophenyl)propanoyl]-methyl-amino]pentanethioate CAS Name: 5-amino-2-[[2-amino-3-(4-chlorophenyl)-1-oxopropyl]-methylamino]pentanethioic acid S-(2-quinolinyl) ester IUPAC Name: S-quinolin-2-yl 5-amino-2-[[2-amino-3-(4-chlorophenyl)propanoyl]-methylamino]pentanethioate Traditional Name: 5-amino-2-[[2-amino-3-(4-chlorophenyl)propanoyl]-methyl-amino]pentanethioic acid S-(2-quinolyl) ester Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C24H27ClN4O2S/c1-29(23(30)19(27)15-16-8-11-18(25)12-9-16)21(7-4-14-26)24(31)32-22-13-10-17-5-2-3-6-20(17)28-22/h2-3,5-6,8-13,19,21H,4,7,14-15,26-27H2,1H3