1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C21H24N2OS/c1-24-17-7-4-6-16(14-17)21(23-12-5-10-22-11-13-23)19-15-25-20-9-3-2-8-18(19)20/h2-4,6-9,14-15,21-22H,5,10-13H2,1H3