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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]hexanamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]hexanamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]hexanamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]hexanamide Formula: C17H20BrN3O2S2 MolecularWeight: 442.3936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2S2/c1-3-4-5-6-15(22)20-16(24)21-17-19-13(10-25-17)11-7-8-14(23-2)12(18)9-11/h7-10H,3-6H2,1-2H3,(H2,19,20,21,22,24)