3-bromanyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-11-3-6-13(10-15(11)19)17(24)20-18(26)22-21-16(23)9-12-4-7-14(25-2)8-5-12/h3-8,10H,9H2,1-2H3,(H,21,23)(H2,20,22,24,26)