[4-(1,3-dithian-2-yl)phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: [4-(1,3-dithian-2-yl)phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [4-(1,3-dithian-2-yl)phenyl]-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: [4-(1,3-dithian-2-yl)phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: [4-(1,3-dithian-2-yl)phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C22H28N2OS2 MolecularWeight: 400.60052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H28N2OS2/c1-23-13-5-8-19(23)20-7-3-2-4-14-24(20)21(25)17-9-11-18(12-10-17)22-26-15-6-16-27-22/h5,8-13,20,22H,2-4,6-7,14-16H2,1H3