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

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-isoamoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-14(2)9-10-29-17-6-4-5-16(12-17)21(28)24-22(31)26-25-20(27)13-30-18-7-8-19(23)15(3)11-18/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)