N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-oxo-chromene-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-keto-chromene-2-carboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CSC=C4

InChI

InChI=1S/C22H24N2O3S/c25-19-13-21(27-20-8-4-3-7-17(19)20)22(26)23-14-18(16-9-12-28-15-16)24-10-5-1-2-6-11-24/h3-4,7-9,12-13,15,18H,1-2,5-6,10-11,14H2,(H,23,26)