N-[[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[2-(2-acetamidothiazol-4-yl)ethyl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[2-(2-acetamido-4-thiazolyl)ethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-[2-(2-acetamidothiazol-4-yl)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CCC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CCC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S2/c1-14(26)22-21-24-18(13-29-21)12-9-15-7-10-17(11-8-15)23-20(28)25-19(27)16-5-3-2-4-6-16/h2-8,10-11,13H,9,12H2,1H3,(H,22,24,26)(H2,23,25,27,28)