N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N4O3S/c1-18-7-9-20(10-8-18)26-23(30)17-28-11-13-29(14-12-28)25(32)19-4-2-5-21(16-19)27-24(31)22-6-3-15-33-22/h2-10,15-16H,11-14,17H2,1H3,(H,26,30)(H,27,31)/p+1