N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-(diethylamino)benzamide

Systemtic Name: N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-(diethylamino)benzamide Openeye Name: N-[[4-(4-cyanophenyl)thiazol-2-yl]carbamothioyl]-4-(diethylamino)benzamide CAS Name: N-[[[4-(4-cyanophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(diethylamino)benzamide IUPAC Name: N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-(diethylamino)benzamide Traditional Name: N-[[4-(4-cyanophenyl)thiazol-2-yl]thiocarbamoyl]-4-(diethylamino)benzamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N5OS2/c1-3-27(4-2)18-11-9-17(10-12-18)20(28)25-21(29)26-22-24-19(14-30-22)16-7-5-15(13-23)6-8-16/h5-12,14H,3-4H2,1-2H3,(H2,24,25,26,28,29)