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

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[[2-(4-bromo-2-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)Br)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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