N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide

Systemtic Name: N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide Openeye Name: N-[1-[4-(o-tolyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide CAS Name: N-[1-[4-(2-methylphenyl)-1-piperazinyl]butyl]-2-dibenzothiophenecarboxamide IUPAC Name: N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide Traditional Name: N-[1-[4-(o-tolyl)piperazino]butyl]dibenzothiophene-2-carboxamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCCC(NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C28H31N3OS/c1-3-8-27(31-17-15-30(16-18-31)24-11-6-4-9-20(24)2)29-28(32)21-13-14-26-23(19-21)22-10-5-7-12-25(22)33-26/h4-7,9-14,19,27H,3,8,15-18H2,1-2H3,(H,29,32)