N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C20H23N3O2S/c1-14-3-6-18(11-15(14)2)26-17-7-4-16(5-8-17)22-20(25)13-23-10-9-21-19(24)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/p+1