N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C(=C3)C)Br)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C(=C3)C)Br)C(C)C

InChI

InChI=1S/C28H29BrN4O4S/c1-16(2)22-14-23(29)18(4)13-24(22)37-15-25(34)31-28(38)33-32-27(36)19-8-10-21(11-9-19)30-26(35)20-7-5-6-17(3)12-20/h5-14,16H,15H2,1-4H3,(H,30,35)(H,32,36)(H2,31,33,34,38)