[3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-6-methoxy-1-benzothiophen-2-yl]-phenyl-methanone

Systemtic Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-6-methoxy-1-benzothiophen-2-yl]-phenyl-methanone Openeye Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-6-methoxy-benzothiophen-2-yl]-phenyl-methanone CAS Name: [3-[4-[2-(1-azepanyl)ethoxy]phenyl]-6-methoxy-1-benzothiophen-2-yl]-phenylmethanone IUPAC Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-6-methoxy-1-benzothiophen-2-yl]-phenylmethanone Traditional Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-6-methoxy-benzothiophen-2-yl]-phenyl-methanone Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCCCC5

InChI

InChI=1S/C30H31NO3S/c1-33-25-15-16-26-27(21-25)35-30(29(32)23-9-5-4-6-10-23)28(26)22-11-13-24(14-12-22)34-20-19-31-17-7-2-3-8-18-31/h4-6,9-16,21H,2-3,7-8,17-20H2,1H3