4,7-bis(azanyl)-1-(phenethylamino)-2-(3-phenylpropylsulfanyl)heptan-3-one

Systemtic Name: 4,7-bis(azanyl)-1-(phenethylamino)-2-(3-phenylpropylsulfanyl)heptan-3-one Openeye Name: 4,7-diamino-1-(phenethylamino)-2-(3-phenylpropylsulfanyl)heptan-3-one CAS Name: 4,7-diamino-1-(phenethylamino)-2-(3-phenylpropylthio)-3-heptanone IUPAC Name: 4,7-diamino-1-(phenethylamino)-2-(3-phenylpropylsulfanyl)heptan-3-one Traditional Name: 4,7-diamino-1-(phenethylamino)-2-(3-phenylpropylthio)heptan-3-one Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(CNCCC2=CC=CC=C2)C(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(CNCCC2=CC=CC=C2)C(=O)C(CCCN)N

InChI

InChI=1S/C24H35N3OS/c25-16-7-14-22(26)24(28)23(19-27-17-15-21-11-5-2-6-12-21)29-18-8-13-20-9-3-1-4-10-20/h1-6,9-12,22-23,27H,7-8,13-19,25-26H2