1-[(4S,5R)-4-azanyl-3-butyl-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-(3-methylphenyl)ethanone

Systemtic Name: 1-[(4S,5R)-4-azanyl-3-butyl-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-(3-methylphenyl)ethanone Openeye Name: 1-[(4S,5R)-4-amino-3-butyl-2-thioxo-thiazolidin-5-yl]-2-(m-tolyl)ethanone CAS Name: 1-[(4S,5R)-4-amino-3-butyl-2-sulfanylidene-5-thiazolidinyl]-2-(3-methylphenyl)ethanone IUPAC Name: 1-[(4S,5R)-4-amino-3-butyl-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-(3-methylphenyl)ethanone Traditional Name: 1-[(4S,5R)-4-amino-3-butyl-2-thioxo-thiazolidin-5-yl]-2-(m-tolyl)ethanone Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(SC1=S)C(=O)CC2=CC=CC(=C2)C)N

Isomeric SMILES

CCCCN1[C@@H]([C@@H](SC1=S)C(=O)CC2=CC=CC(=C2)C)N

InChI

InChI=1S/C16H22N2OS2/c1-3-4-8-18-15(17)14(21-16(18)20)13(19)10-12-7-5-6-11(2)9-12/h5-7,9,14-15H,3-4,8,10,17H2,1-2H3/t14-,15-/m0/s1