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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C23H26N2OS/c1-18-15-22(27-17-18)23(25-13-6-11-24-12-14-25)19-7-5-10-21(16-19)26-20-8-3-2-4-9-20/h2-5,7-10,15-17,23-24H,6,11-14H2,1H3