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

Systemtic Name: [(2S)-1-[(2R)-2-azanyl-3-sulfanyl-propyl]-2-(2-methoxyethyl)piperazin-2-yl]-naphthalen-1-yl-methanone Openeye Name: [(2S)-1-[(2R)-2-amino-3-sulfanyl-propyl]-2-(2-methoxyethyl)piperazin-2-yl]-(1-naphthyl)methanone CAS Name: [(2S)-1-[(2R)-2-amino-3-mercaptopropyl]-2-(2-methoxyethyl)-2-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(2S)-1-[(2R)-2-amino-3-sulfanylpropyl]-2-(2-methoxyethyl)piperazin-2-yl]-naphthalen-1-ylmethanone Traditional Name: [(2S)-1-[(2R)-2-amino-3-mercapto-propyl]-2-(2-methoxyethyl)piperazin-2-yl]-(1-naphthyl)methanone Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1(CNCCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COCC[C@]1(CNCCN1C[C@H](CS)N)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H29N3O2S/c1-26-12-9-21(15-23-10-11-24(21)13-17(22)14-27)20(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,17,23,27H,9-15,22H2,1H3/t17-,21+/m1/s1