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

Systemtic Name: N-[3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H28N4O3S/c1-2-19-7-3-4-10-22(19)28-24(31)18-29-12-14-30(15-13-29)26(33)20-8-5-9-21(17-20)27-25(32)23-11-6-16-34-23/h3-11,16-17H,2,12-15,18H2,1H3,(H,27,32)(H,28,31)/p+1