1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCNCC3

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCNCC3

InChI

InChI=1S/C18H23BrN2OS/c1-13-10-17(23-12-13)18(21-8-3-6-20-7-9-21)15-11-14(19)4-5-16(15)22-2/h4-5,10-12,18,20H,3,6-9H2,1-2H3