N-[4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O3S/c1-15(2)22-19(26)14-24-9-11-25(12-10-24)21(28)16-5-7-17(8-6-16)23-20(27)18-4-3-13-29-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/p+1