N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[1-methyl-2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-5-benzimidazolyl]-2-thiophenecarboxamide IUPAC Name: N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-[(4-isobutyrylpiperazino)methyl]-1-methyl-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N5O2S/c1-15(2)22(29)27-10-8-26(9-11-27)14-20-24-17-13-16(6-7-18(17)25(20)3)23-21(28)19-5-4-12-30-19/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,23,28)