5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonyl]-1-cyclopropyl-piperidin-2-one

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonyl]-1-cyclopropyl-piperidin-2-one Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]-1-cyclopropyl-piperidin-2-one CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-oxomethyl]-1-cyclopropyl-2-piperidinone IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]-1-cyclopropylpiperidin-2-one Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]-1-cyclopropyl-2-piperidone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCC(=O)N(C2)C3CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCC(=O)N(C2)C3CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H26N4O2S/c26-19-9-6-15(14-25(19)16-7-8-16)20(27)23-10-3-11-24(13-12-23)21-22-17-4-1-2-5-18(17)28-21/h1-2,4-5,15-16H,3,6-14H2