N-[[4-[6-(3,4-dichlorophenyl)sulfanyl-1H-benzimidazol-2-yl]phenyl]methyl]-2-piperidin-1-yl-ethanamine

Systemtic Name: N-[[4-[6-(3,4-dichlorophenyl)sulfanyl-1H-benzimidazol-2-yl]phenyl]methyl]-2-piperidin-1-yl-ethanamine Openeye Name: N-[[4-[6-(3,4-dichlorophenyl)sulfanyl-1H-benzimidazol-2-yl]phenyl]methyl]-2-(1-piperidyl)ethanamine CAS Name: N-[[4-[6-[(3,4-dichlorophenyl)thio]-1H-benzimidazol-2-yl]phenyl]methyl]-2-(1-piperidinyl)ethanamine IUPAC Name: N-[[4-[6-(3,4-dichlorophenyl)sulfanyl-1H-benzimidazol-2-yl]phenyl]methyl]-2-piperidin-1-ylethanamine Traditional Name: [4-[6-[(3,4-dichlorophenyl)thio]-1H-benzimidazol-2-yl]benzyl]-(2-piperidinoethyl)amine Formula: C27H28Cl2N4S MolecularWeight: 511.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)SC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(CC1)CCNCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)SC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H28Cl2N4S/c28-23-10-8-21(16-24(23)29)34-22-9-11-25-26(17-22)32-27(31-25)20-6-4-19(5-7-20)18-30-12-15-33-13-2-1-3-14-33/h4-11,16-17,30H,1-3,12-15,18H2,(H,31,32)