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

Systemtic Name: N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Formula: C31H35BrN4O4S MolecularWeight: 639.603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H35BrN4O4S/c1-18(2)24-16-25(32)19(3)15-26(24)40-17-27(37)34-30(41)36-35-29(39)21-9-13-23(14-10-21)33-28(38)20-7-11-22(12-8-20)31(4,5)6/h7-16,18H,17H2,1-6H3,(H,33,38)(H,35,39)(H2,34,36,37,41)