S-quinolin-3-yl 2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanethioate

Systemtic Name: S-quinolin-3-yl 2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanethioate Openeye Name: S-(3-quinolyl) 2-(2,6-diaminohexanoylamino)-3-phenyl-propanethioate CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-3-phenylpropanethioic acid S-(3-quinolinyl) ester IUPAC Name: S-quinolin-3-yl 2-(2,6-diaminohexanoylamino)-3-phenylpropanethioate Traditional Name: 2-(2,6-diaminohexanoylamino)-3-phenyl-propanethioic acid S-(3-quinolyl) ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCCN)N

InChI

InChI=1S/C24H28N4O2S/c25-13-7-6-11-20(26)23(29)28-22(14-17-8-2-1-3-9-17)24(30)31-19-15-18-10-4-5-12-21(18)27-16-19/h1-5,8-10,12,15-16,20,22H,6-7,11,13-14,25-26H2,(H,28,29)