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

Systemtic Name: N-[3-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-3-4-8-20(27)24-17-6-5-7-18(14-17)25-22(30)26-21(28)12-9-15-13-16(23)10-11-19(15)29-2/h5-7,9-14H,3-4,8H2,1-2H3,(H,24,27)(H2,25,26,28,30)