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

Systemtic Name: 2-[3-[3,5-bis(bromanyl)-2-methoxy-phenyl]prop-2-enoylcarbamothioylamino]benzamide Openeye Name: 2-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylcarbamothioylamino]benzamide CAS Name: 2-[[[[3-(3,5-dibromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzamide Traditional Name: 2-[[3-(3,5-dibromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C18H15Br2N3O3S MolecularWeight: 513.203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N)Br)Br

InChI

InChI=1S/C18H15Br2N3O3S/c1-26-16-10(8-11(19)9-13(16)20)6-7-15(24)23-18(27)22-14-5-3-2-4-12(14)17(21)25/h2-9H,1H3,(H2,21,25)(H2,22,23,24,27)