N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H22BrN3O3S/c1-13(2)20(27)23-16-6-8-17(9-7-16)24-21(29)25-19(26)11-4-14-12-15(22)5-10-18(14)28-3/h4-13H,1-3H3,(H,23,27)(H2,24,25,26,29)/b11-4+