4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonylpiperazin-2-one Openeye Name: 4-[6-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]piperazin-2-one CAS Name: 4-[[6-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[6-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]piperazin-2-one Traditional Name: 4-[6-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]piperazin-2-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC=CC3=C2C=CC(=C3)NCC(CS)N

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC=CC3=C2C=CC(=C3)NC[C@H](CS)N

InChI

InChI=1S/C18H22N4O2S/c19-13(11-25)9-21-14-4-5-15-12(8-14)2-1-3-16(15)18(24)22-7-6-20-17(23)10-22/h1-5,8,13,21,25H,6-7,9-11,19H2,(H,20,23)/t13-/m1/s1