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

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(3-methoxypropyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-(3-methoxypropyl)piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-(3-methoxypropyl)-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(3-methoxypropyl)piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-(3-methoxypropyl)piperazino]-(1-naphthyl)methanone Formula: C22H31N3O2S MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-27-13-5-8-19-15-25(12-11-24(19)14-18(23)16-28)22(26)21-10-4-7-17-6-2-3-9-20(17)21/h2-4,6-7,9-10,18-19,28H,5,8,11-16,23H2,1H3/t18-,19+/m1/s1