(3S)-4-[6-[(3-methylimidazol-4-yl)methylamino]naphthalen-1-yl]carbonyl-3-(2-methylsulfanylethyl)piperazin-2-one

Systemtic Name: (3S)-4-[6-[(3-methylimidazol-4-yl)methylamino]naphthalen-1-yl]carbonyl-3-(2-methylsulfanylethyl)piperazin-2-one Openeye Name: (3S)-4-[6-[(3-methylimidazol-4-yl)methylamino]naphthalene-1-carbonyl]-3-(2-methylsulfanylethyl)piperazin-2-one CAS Name: (3S)-4-[[6-[(3-methyl-4-imidazolyl)methylamino]-1-naphthalenyl]-oxomethyl]-3-[2-(methylthio)ethyl]-2-piperazinone IUPAC Name: (3S)-4-[6-[(3-methylimidazol-4-yl)methylamino]naphthalene-1-carbonyl]-3-(2-methylsulfanylethyl)piperazin-2-one Traditional Name: (3S)-4-[6-[(3-methylimidazol-4-yl)methylamino]-1-naphthoyl]-3-[2-(methylthio)ethyl]piperazin-2-one Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CNC2=CC3=C(C=C2)C(=CC=C3)C(=O)N4CCNC(=O)C4CCSC

Isomeric SMILES

CN1C=NC=C1CNC2=CC3=C(C=C2)C(=CC=C3)C(=O)N4CCNC(=O)[C@@H]4CCSC

InChI

InChI=1S/C23H27N5O2S/c1-27-15-24-13-18(27)14-26-17-6-7-19-16(12-17)4-3-5-20(19)23(30)28-10-9-25-22(29)21(28)8-11-31-2/h3-7,12-13,15,21,26H,8-11,14H2,1-2H3,(H,25,29)/t21-/m0/s1