N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-isovalerylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O3S/c1-15(2)14-19(25)23-9-11-24(12-10-23)21(27)16-6-3-4-7-17(16)22-20(26)18-8-5-13-28-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)