N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C19H16BrN3OS2 MolecularWeight: 446.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H16BrN3OS2/c1-11-3-4-14(9-12(11)2)17(24)22-18(25)23-19-21-16(10-26-19)13-5-7-15(20)8-6-13/h3-10H,1-2H3,(H2,21,22,23,24,25)