[(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(2-propoxyethyl)piperazin-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-(2-propoxyethyl)piperazin-1-yl]-quinolin-8-yl-methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-(2-propoxyethyl)piperazin-1-yl]-(8-quinolyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-(2-propoxyethyl)-1-piperazinyl]-(8-quinolinyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(2-propoxyethyl)piperazin-1-yl]-quinolin-8-ylmethanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-(2-propoxyethyl)piperazino]-(8-quinolyl)methanone Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCOCC[C@H]1CN(CCN1C[C@H](CS)N)C(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H32N4O2S/c1-2-12-28-13-8-19-15-26(11-10-25(19)14-18(23)16-29)22(27)20-7-3-5-17-6-4-9-24-21(17)20/h3-7,9,18-19,29H,2,8,10-16,23H2,1H3/t18-,19+/m1/s1