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

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(2-propoxyethyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-(2-propoxyethyl)piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-(2-propoxyethyl)-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(2-propoxyethyl)piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-(2-propoxyethyl)piperazino]-(1-naphthyl)methanone Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-2-13-28-14-10-20-16-26(12-11-25(20)15-19(24)17-29)23(27)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,19-20,29H,2,10-17,24H2,1H3/t19-,20+/m1/s1