1,3-benzodioxol-5-yl-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC=N2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC=N2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O4S/c21-16(12-2-3-14-15(8-12)24-11-23-14)19-4-1-5-20(7-6-19)17(22)13-9-25-10-18-13/h2-3,8-10H,1,4-7,11H2