N-[3-[3-[3,5-bis(bromanyl)-2-methoxy-phenyl]prop-2-enoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[3-[3,5-bis(bromanyl)-2-methoxy-phenyl]prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[3-(3,5-dibromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(3,5-dibromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C22H23Br2N3O3S MolecularWeight: 569.30932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C22H23Br2N3O3S/c1-3-4-8-19(28)25-16-6-5-7-17(13-16)26-22(31)27-20(29)10-9-14-11-15(23)12-18(24)21(14)30-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,25,28)(H2,26,27,29,31)