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

Systemtic Name: S-naphthalen-2-yl 2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanethioate Openeye Name: S-(2-naphthyl) 2-(2,6-diaminohexanoylamino)-3-phenyl-propanethioate CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-3-phenylpropanethioic acid S-(2-naphthalenyl) ester IUPAC Name: S-naphthalen-2-yl 2-(2,6-diaminohexanoylamino)-3-phenylpropanethioate Traditional Name: 2-(2,6-diaminohexanoylamino)-3-phenyl-propanethioic acid S-(2-naphthyl) ester Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCCN)N

InChI

InChI=1S/C25H29N3O2S/c26-15-7-6-12-22(27)24(29)28-23(16-18-8-2-1-3-9-18)25(30)31-21-14-13-19-10-4-5-11-20(19)17-21/h1-5,8-11,13-14,17,22-23H,6-7,12,15-16,26-27H2,(H,28,29)