3-bromanyl-N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[5-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[5-[(E)-3-(3-bromophenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H15Br2N3O2S2 MolecularWeight: 565.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H15Br2N3O2S2/c1-12-18(17(27)9-8-13-4-2-6-15(22)10-13)30-21(24-12)26-20(29)25-19(28)14-5-3-7-16(23)11-14/h2-11H,1H3,(H2,24,25,26,28,29)/b9-8+