2,6-bis(azanyl)-7-(4-hydroxyphenyl)-4-methylsulfanyl-5-oxidanylidene-N-(3-phenylpropyl)heptanamide

Systemtic Name: 2,6-bis(azanyl)-7-(4-hydroxyphenyl)-4-methylsulfanyl-5-oxidanylidene-N-(3-phenylpropyl)heptanamide Openeye Name: 2,6-diamino-7-(4-hydroxyphenyl)-4-methylsulfanyl-5-oxo-N-(3-phenylpropyl)heptanamide CAS Name: 2,6-diamino-7-(4-hydroxyphenyl)-4-(methylthio)-5-oxo-N-(3-phenylpropyl)heptanamide IUPAC Name: 2,6-diamino-7-(4-hydroxyphenyl)-4-methylsulfanyl-5-oxo-N-(3-phenylpropyl)heptanamide Traditional Name: 2,6-diamino-7-(4-hydroxyphenyl)-5-keto-4-(methylthio)-N-(3-phenylpropyl)enanthamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)NCCCC1=CC=CC=C1)N)C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSC(CC(C(=O)NCCCC1=CC=CC=C1)N)C(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C23H31N3O3S/c1-30-21(22(28)19(24)14-17-9-11-18(27)12-10-17)15-20(25)23(29)26-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-21,27H,5,8,13-15,24-25H2,1H3,(H,26,29)