N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide hydrochloride

Systemtic Name: N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide hydrochloride Openeye Name: N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide hydrochloride CAS Name: N-[1-[4-(2,3-dimethylphenyl)-1-piperazinyl]butyl]-2-dibenzothiophenecarboxamide hydrochloride IUPAC Name: N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide hydrochloride Traditional Name: N-[1-[4-(2,3-dimethylphenyl)piperazino]butyl]dibenzothiophene-2-carboxamide hydrochloride Formula: C29H34ClN3OS MolecularWeight: 508.11776

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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)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3OS.ClH/c1-4-8-28(32-17-15-31(16-18-32)25-11-7-9-20(2)21(25)3)30-29(33)22-13-14-27-24(19-22)23-10-5-6-12-26(23)34-27;/h5-7,9-14,19,28H,4,8,15-18H2,1-3H3,(H,30,33);1H