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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H16BrN3O2S2 MolecularWeight: 474.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O2S2/c1-26-17-9-8-14(11-15(17)21)16-12-28-20(22-16)24-19(27)23-18(25)10-7-13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23,24,25,27)