N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4,7-diketo-7-(5-methyl-2-thienyl)enanthamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC(=O)CCC(=O)C3=CC=C(S3)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC(=O)CCC(=O)C3=CC=C(S3)C)C

InChI

InChI=1S/C25H33N3O3S/c1-4-27-13-15-28(16-14-27)20-6-9-22(18(2)17-20)26-25(31)12-8-21(29)7-10-23(30)24-11-5-19(3)32-24/h5-6,9,11,17H,4,7-8,10,12-16H2,1-3H3,(H,26,31)