3-(5-bromanyl-2-methoxy-phenyl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]acrylamide Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H18BrN3O2S2/c1-13-3-5-14(6-4-13)17-12-29-21(23-17)25-20(28)24-19(26)10-7-15-11-16(22)8-9-18(15)27-2/h3-12H,1-2H3,(H2,23,24,25,26,28)