N-[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]phenyl]-3-chloro-benzamide CAS Name: N-[4-[[[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]phenyl]-3-chloro-benzamide Formula: C24H19BrClN3O3S MolecularWeight: 544.84796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H19BrClN3O3S/c1-32-21-11-6-17(25)13-15(21)5-12-22(30)29-24(33)28-20-9-7-19(8-10-20)27-23(31)16-3-2-4-18(26)14-16/h2-14H,1H3,(H,27,31)(H2,28,29,30,33)