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

Systemtic Name: [(3R)-4-[(2S)-2-azanyl-3-sulfanyl-propyl]-3-(2-methoxyethyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3R)-4-[(2S)-2-amino-3-sulfanyl-propyl]-3-(2-methoxyethyl)piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3R)-4-[(2S)-2-amino-3-mercaptopropyl]-3-(2-methoxyethyl)-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3R)-4-[(2S)-2-amino-3-sulfanylpropyl]-3-(2-methoxyethyl)piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3R)-4-[(2S)-2-amino-3-mercapto-propyl]-3-(2-methoxyethyl)piperazino]-(1-naphthyl)methanone Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COCC[C@@H]1CN(CCN1C[C@@H](CS)N)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m0/s1