(4-methylsulfonyl-1,4-diazepan-1-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[4-[(2-methylthiazol-4-yl)methylsulfanyl]phenyl]methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[4-[(2-methylthiazol-4-yl)methylthio]phenyl]methanone Formula: C18H23N3O3S3 MolecularWeight: 425.58852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O3S3/c1-14-19-16(12-25-14)13-26-17-6-4-15(5-7-17)18(22)20-8-3-9-21(11-10-20)27(2,23)24/h4-7,12H,3,8-11,13H2,1-2H3