N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3OS2/c1-11(2)9-17(24)23-19(25)22-15-10-12(7-8-13(15)20)18-21-14-5-3-4-6-16(14)26-18/h3-8,10-11H,9H2,1-2H3,(H2,22,23,24,25)