2,2-bis(azanyl)-2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]ethanal

Systemtic Name: 2,2-bis(azanyl)-2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]ethanal Openeye Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-pyridyl]-2,2-diamino-acetaldehyde CAS Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-pyridinyl]-2,2-diaminoacetaldehyde IUPAC Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]pyridin-3-yl]-2,2-diaminoacetaldehyde Traditional Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-pyridyl]-2,2-diamino-acetaldehyde Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC=C(C=C2)C(C=O)(N)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC=C(C=C2)C(C=O)(N)N

InChI

InChI=1S/C21H27N3O4S/c1-3-5-17-18(8-7-16(14(2)26)20(17)27)28-10-4-11-29-19-9-6-15(12-24-19)21(22,23)13-25/h6-9,12-13,27H,3-5,10-11,22-23H2,1-2H3