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

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)-4-keto-butyl]thiophene-2-carboxamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H27N3O3S/c1-14(2)13-17(23)21-10-8-20(9-11-21)16(22)6-3-7-19-18(24)15-5-4-12-25-15/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,19,24)