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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N3O2S/c25-20(11-10-19-22-17-8-3-4-9-18(17)27-19)23-12-5-13-24(15-14-23)21(26)16-6-1-2-7-16/h3-4,8-9,16H,1-2,5-7,10-15H2