(3S)-4-(6-azanylnaphthalen-1-yl)carbonyl-3-(2-methylsulfanylethyl)piperazin-2-one

Systemtic Name: (3S)-4-(6-azanylnaphthalen-1-yl)carbonyl-3-(2-methylsulfanylethyl)piperazin-2-one Openeye Name: (3S)-4-(6-aminonaphthalene-1-carbonyl)-3-(2-methylsulfanylethyl)piperazin-2-one CAS Name: (3S)-4-[(6-amino-1-naphthalenyl)-oxomethyl]-3-[2-(methylthio)ethyl]-2-piperazinone IUPAC Name: (3S)-4-(6-aminonaphthalene-1-carbonyl)-3-(2-methylsulfanylethyl)piperazin-2-one Traditional Name: (3S)-4-(6-amino-1-naphthoyl)-3-[2-(methylthio)ethyl]piperazin-2-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)N

Isomeric SMILES

CSCC[C@H]1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)N

InChI

InChI=1S/C18H21N3O2S/c1-24-10-7-16-17(22)20-8-9-21(16)18(23)15-4-2-3-12-11-13(19)5-6-14(12)15/h2-6,11,16H,7-10,19H2,1H3,(H,20,22)/t16-/m0/s1