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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C16H18BrN3O2S2 MolecularWeight: 428.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H18BrN3O2S2/c1-9(2)6-14(21)19-15(23)20-16-18-12(8-24-16)10-4-5-13(22-3)11(17)7-10/h4-5,7-9H,6H2,1-3H3,(H2,18,19,20,21,23)