1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C24H28N2OS/c1-19-15-23(28-18-19)24(26-13-6-11-25-12-14-26)21-9-5-10-22(16-21)27-17-20-7-3-2-4-8-20/h2-5,7-10,15-16,18,24-25H,6,11-14,17H2,1H3