3-(1,3-benzothiazol-2-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-mesyl-1,4-diazepan-1-yl)propan-1-one Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3O3S2/c1-24(21,22)19-10-4-9-18(11-12-19)16(20)8-7-15-17-13-5-2-3-6-14(13)23-15/h2-3,5-6H,4,7-12H2,1H3