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

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(2-cyclopropyloxyethyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-[2-(cyclopropoxy)ethyl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-(2-cyclopropyloxyethyl)-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(2-cyclopropyloxyethyl)piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-[2-(cyclopropoxy)ethyl]piperazino]-(1-naphthyl)methanone Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1OCCC2CN(CCN2CC(CS)N)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC1OCC[C@H]2CN(CCN2C[C@H](CS)N)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H31N3O2S/c24-18(16-29)14-25-11-12-26(15-19(25)10-13-28-20-8-9-20)23(27)22-7-3-5-17-4-1-2-6-21(17)22/h1-7,18-20,29H,8-16,24H2/t18-,19+/m1/s1