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

Systemtic Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[5-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[5-[(E)-3-(3-bromophenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C(C)C)C(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S2/c1-10(2)16(24)21-17(25)22-18-20-11(3)15(26-18)14(23)8-7-12-5-4-6-13(19)9-12/h4-10H,1-3H3,(H2,20,21,22,24,25)/b8-7+