methyl 3,5-bis(1-azanylethyl)-2,4-bis(propylsulfanyl)benzoate

Systemtic Name: methyl 3,5-bis(1-azanylethyl)-2,4-bis(propylsulfanyl)benzoate Openeye Name: methyl 3,5-bis(1-aminoethyl)-2,4-bis(propylsulfanyl)benzoate CAS Name: 3,5-bis(1-aminoethyl)-2,4-bis(propylthio)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(1-aminoethyl)-2,4-bis(propylsulfanyl)benzoate Traditional Name: 3,5-bis(1-aminoethyl)-2,4-bis(propylthio)benzoic acid methyl ester Formula: C18H30N2O2S2 MolecularWeight: 370.573

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C=C1C(=O)OC)C(C)N)SCCC)C(C)N

Isomeric SMILES

CCCSC1=C(C(=C(C=C1C(=O)OC)C(C)N)SCCC)C(C)N

InChI

InChI=1S/C18H30N2O2S2/c1-6-8-23-16-13(11(3)19)10-14(18(21)22-5)17(24-9-7-2)15(16)12(4)20/h10-12H,6-9,19-20H2,1-5H3