N3-butyl-5-(2-cyanophenyl)-N3-methyl-N1-[(2S)-1-oxidanyl-3-thiophen-3-yl-propan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N3-butyl-5-(2-cyanophenyl)-N3-methyl-N1-[(2S)-1-oxidanyl-3-thiophen-3-yl-propan-2-yl]benzene-1,3-dicarboxamide Openeye Name: N3-butyl-5-(2-cyanophenyl)-N1-[(1S)-1-(hydroxymethyl)-2-(3-thienyl)ethyl]-N3-methyl-benzene-1,3-dicarboxamide CAS Name: N3-butyl-5-(2-cyanophenyl)-N1-[(2S)-1-hydroxy-3-(3-thiophenyl)propan-2-yl]-N3-methylbenzene-1,3-dicarboxamide IUPAC Name: 3-N-butyl-5-(2-cyanophenyl)-1-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-3-N-methylbenzene-1,3-dicarboxamide Traditional Name: N'-butyl-5-(2-cyanophenyl)-N'-methyl-N-[(1S)-1-methylol-2-(3-thienyl)ethyl]isophthalamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CSC=C2)CO)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCN(C)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CSC=C2)CO)C3=CC=CC=C3C#N

InChI

InChI=1S/C27H29N3O3S/c1-3-4-10-30(2)27(33)23-14-21(25-8-6-5-7-20(25)16-28)13-22(15-23)26(32)29-24(17-31)12-19-9-11-34-18-19/h5-9,11,13-15,18,24,31H,3-4,10,12,17H2,1-2H3,(H,29,32)/t24-/m0/s1