N-[4-(azepan-1-yl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-16-15-20(17(2)27-16)21(25)11-12-22(26)23-18-7-9-19(10-8-18)24-13-5-3-4-6-14-24/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,26)