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

Systemtic Name: N-[1-(2-azanyl-3-sulfanyl-propyl)-4-naphthalen-1-ylcarbonyl-piperazin-2-yl]benzamide Openeye Name: N-[1-(2-amino-3-sulfanyl-propyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]benzamide CAS Name: N-[1-(2-amino-3-mercaptopropyl)-4-[1-naphthalenyl(oxo)methyl]-2-piperazinyl]benzamide IUPAC Name: N-[1-(2-amino-3-sulfanylpropyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]benzamide Traditional Name: N-[1-(2-amino-3-mercapto-propyl)-4-(1-naphthoyl)piperazin-2-yl]benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)CC(CS)N

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)CC(CS)N

InChI

InChI=1S/C25H28N4O2S/c26-20(17-32)15-28-13-14-29(16-23(28)27-24(30)19-8-2-1-3-9-19)25(31)22-12-6-10-18-7-4-5-11-21(18)22/h1-12,20,23,32H,13-17,26H2,(H,27,30)