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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S2/c1-3-4-5-14(21)19-15(23)20-16-18-12(9-24-16)10-6-7-13(22-2)11(17)8-10/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21,23)