N-[4-[1-(2-azanyl-3-sulfanyl-propyl)-4-naphthalen-1-ylcarbonyl-piperazin-2-yl]butyl]ethanamide

Systemtic Name: N-[4-[1-(2-azanyl-3-sulfanyl-propyl)-4-naphthalen-1-ylcarbonyl-piperazin-2-yl]butyl]ethanamide Openeye Name: N-[4-[1-(2-amino-3-sulfanyl-propyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]butyl]acetamide CAS Name: N-[4-[1-(2-amino-3-mercaptopropyl)-4-[1-naphthalenyl(oxo)methyl]-2-piperazinyl]butyl]acetamide IUPAC Name: N-[4-[1-(2-amino-3-sulfanylpropyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]butyl]acetamide Traditional Name: N-[4-[1-(2-amino-3-mercapto-propyl)-4-(1-naphthoyl)piperazin-2-yl]butyl]acetamide Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)NCCCCC1CN(CCN1CC(CS)N)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H34N4O2S/c1-18(29)26-12-5-4-9-21-16-28(14-13-27(21)15-20(25)17-31)24(30)23-11-6-8-19-7-2-3-10-22(19)23/h2-3,6-8,10-11,20-21,31H,4-5,9,12-17,25H2,1H3,(H,26,29)