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

Systemtic Name: N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C24H29BrN4O4S/c1-5-6-21(30)26-17-9-7-16(8-10-17)23(32)28-29-24(34)27-22(31)13-33-20-11-15(4)19(25)12-18(20)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,26,30)(H,28,32)(H2,27,29,31,34)