[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H27N5OS/c35-28(23-12-10-21(11-13-23)20-36-29-31-25-8-1-2-9-26(25)32-29)34-17-15-33(16-18-34)19-24-6-3-5-22-7-4-14-30-27(22)24/h1-14H,15-20H2,(H,31,32)