2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-methyl-2-phenyl-thiazol-4-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-methyl-2-phenyl-4-thiazolyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-thiazol-4-yl)ethanone Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O3S2/c1-19-23(26-25(32-19)21-7-4-3-5-8-21)17-24(29)28-14-6-13-27(15-16-28)18-20-9-11-22(12-10-20)33(2,30)31/h3-5,7-12H,6,13-18H2,1-2H3