N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H18ClN3OS2/c1-19(2,3)17(24)23-18(25)21-11-8-9-12(13(20)10-11)16-22-14-6-4-5-7-15(14)26-16/h4-10H,1-3H3,(H2,21,23,24,25)