(2E)-2-[[2-(azepan-1-yl)ethylamino]-phenyl-methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-2-[[2-(azepan-1-yl)ethylamino]-phenyl-methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-2-[[2-(azepan-1-yl)ethylamino]-phenyl-methylene]benzothiophen-3-one CAS Name: (2E)-2-[[2-(1-azepanyl)ethylamino]-phenylmethylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-2-[[2-(azepan-1-yl)ethylamino]-phenylmethylidene]-1-benzothiophen-3-one Traditional Name: (2E)-2-[[2-(azepan-1-yl)ethylamino]-phenyl-methylene]benzothiophen-3-one Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=C2C(=O)C3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCN/C(=C/2\C(=O)C3=CC=CC=C3S2)/C4=CC=CC=C4

InChI

InChI=1S/C23H26N2OS/c26-22-19-12-6-7-13-20(19)27-23(22)21(18-10-4-3-5-11-18)24-14-17-25-15-8-1-2-9-16-25/h3-7,10-13,24H,1-2,8-9,14-17H2/b23-21+