1-methyl-2-(3-methylbutylamino)-3-(phenylmethyl)cyclopropan-1-ol; N-sulfanylpropanamide

Systemtic Name: 1-methyl-2-(3-methylbutylamino)-3-(phenylmethyl)cyclopropan-1-ol; N-sulfanylpropanamide Openeye Name: 2-benzyl-3-(isopentylamino)-1-methyl-cyclopropanol; N-sulfanylpropanamide CAS Name: N-mercaptopropanamide; 1-methyl-2-(3-methylbutylamino)-3-(phenylmethyl)-1-cyclopropanol IUPAC Name: 2-benzyl-1-methyl-3-(3-methylbutylamino)cyclopropan-1-ol; N-sulfanylpropanamide Traditional Name: 2-benzyl-3-(isoamylamino)-1-methyl-cyclopropanol; N-mercaptopropionamide Formula: C19H32N2O2S MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NS.CC(C)CCNC1C(C1(C)O)CC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NS.CC(C)CCNC1C(C1(C)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H25NO.C3H7NOS/c1-12(2)9-10-17-15-14(16(15,3)18)11-13-7-5-4-6-8-13;1-2-3(5)4-6/h4-8,12,14-15,17-18H,9-11H2,1-3H3;6H,2H2,1H3,(H,4,5)