N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: 4,7-diketo-N-(3-methyl-4-pyrrolidino-phenyl)-7-(5-methyl-2-thienyl)enanthamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C23H28N2O3S/c1-16-15-18(6-9-20(16)25-13-3-4-14-25)24-23(28)12-8-19(26)7-10-21(27)22-11-5-17(2)29-22/h5-6,9,11,15H,3-4,7-8,10,12-14H2,1-2H3,(H,24,28)