1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OC

InChI

InChI=1S/C23H28N2O2S/c1-3-27-20-10-9-17(15-21(20)26-2)23(25-13-6-11-24-12-14-25)19-16-28-22-8-5-4-7-18(19)22/h4-5,7-10,15-16,23-24H,3,6,11-14H2,1-2H3