2-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-7-methyl-4-sulfanylidene-1H-1,8-naphthyridine-3-carboxamide

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-7-methyl-4-sulfanylidene-1H-1,8-naphthyridine-3-carboxamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]-7-methyl-4-thioxo-1H-1,8-naphthyridine-3-carboxamide CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-7-methyl-4-sulfanylidene-1H-1,8-naphthyridine-3-carboxamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]-7-methyl-4-sulfanylidene-1H-1,8-naphthyridine-3-carboxamide Traditional Name: 2-[4-(4-benzhydrylpiperazino)butyl]-7-methyl-4-thioxo-1H-1,8-naphthyridine-3-carboxamide Formula: C31H35N5OS MolecularWeight: 525.7075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=S)C(=C(N2)CCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CC1=NC2=C(C=C1)C(=S)C(=C(N2)CCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C31H35N5OS/c1-22-15-16-25-29(38)27(30(32)37)26(34-31(25)33-22)14-8-9-17-35-18-20-36(21-19-35)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,15-16,28H,8-9,14,17-21H2,1H3,(H2,32,37)(H,33,34,38)