N-[4-(azepan-1-ylcarbonyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)thiazol-2-yl]-piperonylamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O4S/c22-16(12-5-6-14-15(9-12)25-11-24-14)20-18-19-13(10-26-18)17(23)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8,11H2,(H,19,20,22)