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

Systemtic Name: 4-(diethylamino)-N-[[4-(4-iodophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-(diethylamino)-N-[[4-(4-iodophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-(diethylamino)-N-[[[4-(4-iodophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(diethylamino)-N-[[4-(4-iodophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-(diethylamino)-N-[[4-(4-iodophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H21IN4OS2 MolecularWeight: 536.45211

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN4OS2/c1-3-26(4-2)17-11-7-15(8-12-17)19(27)24-20(28)25-21-23-18(13-29-21)14-5-9-16(22)10-6-14/h5-13H,3-4H2,1-2H3,(H2,23,24,25,27,28)