1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl(m-phenetyl)methyl]-1,4-diazepane Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C22H26N2OS/c1-2-25-19-9-5-8-18(15-19)22(24-13-6-11-23-12-14-24)21-16-17-7-3-4-10-20(17)26-21/h3-5,7-10,15-16,22-23H,2,6,11-14H2,1H3