N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]-4-(2-thienyl)butyramide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O3S/c1-24-14-5-8-17(24)18-7-3-2-4-15-25(18)22(28)12-13-23-21(27)11-10-19(26)20-9-6-16-29-20/h5-6,8-9,14,16,18H,2-4,7,10-13,15H2,1H3,(H,23,27)