[2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-oxidanylidene-1-benzothiophen-3-yl]-phenyl-methanone

Systemtic Name: [2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-oxidanylidene-1-benzothiophen-3-yl]-phenyl-methanone Openeye Name: [2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-oxo-benzothiophen-3-yl]-phenyl-methanone CAS Name: [2-[4-[2-(1-azepanyl)ethoxy]phenyl]-1-oxo-1-benzothiophen-3-yl]-phenylmethanone IUPAC Name: [2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-oxo-1-benzothiophen-3-yl]-phenylmethanone Traditional Name: [2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-keto-benzothiophen-3-yl]-phenyl-methanone Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3=O)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3=O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO3S/c31-28(22-10-4-3-5-11-22)27-25-12-6-7-13-26(25)34(32)29(27)23-14-16-24(17-15-23)33-21-20-30-18-8-1-2-9-19-30/h3-7,10-17H,1-2,8-9,18-21H2