[(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(phenylmethoxymethyl)piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(phenylmethoxymethyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-(benzyloxymethyl)piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-(phenylmethoxymethyl)-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(phenylmethoxymethyl)piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-(benzoxymethyl)piperazino]-(1-naphthyl)methanone Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CC3=CC=CC=C32)COCC4=CC=CC=C4)CC(CS)N

Isomeric SMILES

C1CN([C@@H](CN1C(=O)C2=CC=CC3=CC=CC=C32)COCC4=CC=CC=C4)C[C@H](CS)N

InChI

InChI=1S/C26H31N3O2S/c27-22(19-32)15-28-13-14-29(16-23(28)18-31-17-20-7-2-1-3-8-20)26(30)25-12-6-10-21-9-4-5-11-24(21)25/h1-12,22-23,32H,13-19,27H2/t22-,23+/m1/s1