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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-10(2)16(23)22-18(24)20-11-7-8-12(13(19)9-11)17-21-14-5-3-4-6-15(14)25-17/h3-10H,1-2H3,(H2,20,22,23,24)