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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3OS2/c1-11(2)9-17(24)23-19(25)22-14-8-7-12(20)10-13(14)18-21-15-5-3-4-6-16(15)26-18/h3-8,10-11H,9H2,1-2H3,(H2,22,23,24,25)