2-azanyl-4-(3-methylbutylamino)-1-phenyl-pentane-3-thiol

Systemtic Name: 2-azanyl-4-(3-methylbutylamino)-1-phenyl-pentane-3-thiol Openeye Name: 2-amino-4-(isopentylamino)-1-phenyl-pentane-3-thiol CAS Name: 2-amino-4-(3-methylbutylamino)-1-phenyl-3-pentanethiol IUPAC Name: 2-amino-4-(3-methylbutylamino)-1-phenylpentane-3-thiol Traditional Name: 2-amino-4-(isoamylamino)-1-phenyl-pentane-3-thiol Formula: C16H28N2S MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C)C(C(CC1=CC=CC=C1)N)S

Isomeric SMILES

CC(C)CCNC(C)C(C(CC1=CC=CC=C1)N)S

InChI

InChI=1S/C16H28N2S/c1-12(2)9-10-18-13(3)16(19)15(17)11-14-7-5-4-6-8-14/h4-8,12-13,15-16,18-19H,9-11,17H2,1-3H3