N-[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-carboxamide hydrochloride

Systemtic Name: N-[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-carboxamide hydrochloride Openeye Name: N-[3-(azepan-1-yl)-1,4-dioxo-2-naphthyl]thiophene-2-carboxamide hydrochloride CAS Name: N-[3-(1-azepanyl)-1,4-dioxo-2-naphthalenyl]-2-thiophenecarboxamide hydrochloride IUPAC Name: N-[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]thiophene-2-carboxamide hydrochloride Traditional Name: N-[3-(azepan-1-yl)-1,4-diketo-2-naphthyl]thiophene-2-carboxamide hydrochloride Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CS4.Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CS4.Cl

InChI

InChI=1S/C21H20N2O3S.ClH/c24-19-14-8-3-4-9-15(14)20(25)18(23-11-5-1-2-6-12-23)17(19)22-21(26)16-10-7-13-27-16;/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,26);1H