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

Systemtic Name: 4,7-bis(azanyl)-1-(phenethylamino)-2-(phenylmethylsulfanyl)heptan-3-one Openeye Name: 4,7-diamino-2-benzylsulfanyl-1-(phenethylamino)heptan-3-one CAS Name: 4,7-diamino-1-(phenethylamino)-2-(phenylmethylthio)-3-heptanone IUPAC Name: 4,7-diamino-2-benzylsulfanyl-1-(phenethylamino)heptan-3-one Traditional Name: 4,7-diamino-2-(benzylthio)-1-(phenethylamino)heptan-3-one Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(C(=O)C(CCCN)N)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(C(=O)C(CCCN)N)SCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3OS/c23-14-7-12-20(24)22(26)21(27-17-19-10-5-2-6-11-19)16-25-15-13-18-8-3-1-4-9-18/h1-6,8-11,20-21,25H,7,12-17,23-24H2