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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methyl-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

InChI

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