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

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-butyl-piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-butyl-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-butyl-piperazino]-(1-naphthyl)methanone Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1