N-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-azepane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-azepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-thienyl)azepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-1-azepanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylazepane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(2-thienyl)azepane-1-carboxamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1CCC(N(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C18H20N2O3S/c21-18(19-13-7-8-15-16(11-13)23-12-22-15)20-9-3-1-2-5-14(20)17-6-4-10-24-17/h4,6-8,10-11,14H,1-3,5,9,12H2,(H,19,21)