(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylmethanediamine

Systemtic Name: (3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylmethanediamine Openeye Name: (3-butyl-6-methoxy-2-methyl-4-quinolyl)sulfanylmethanediamine CAS Name: [(3-butyl-6-methoxy-2-methyl-4-quinolinyl)thio]methanediamine IUPAC Name: (3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylmethanediamine Traditional Name: [amino-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]methyl]amine Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SC(N)N

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SC(N)N

InChI

InChI=1S/C16H23N3OS/c1-4-5-6-12-10(2)19-14-8-7-11(20-3)9-13(14)15(12)21-16(17)18/h7-9,16H,4-6,17-18H2,1-3H3