(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-(5-bromo-2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C20H19BrN4O3S2 MolecularWeight: 507.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H19BrN4O3S2/c1-12(26)22-19(29)23-15-5-7-16(8-6-15)24-20(30)25-18(27)10-3-13-11-14(21)4-9-17(13)28-2/h3-11H,1-2H3,(H2,22,23,26,29)(H2,24,25,27,30)/b10-3+