3-[[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]-2-methyl-benzamide

Systemtic Name: 3-[[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]-2-methyl-benzamide Openeye Name: 3-[[(E)-3-[5-(3-bromophenyl)-2-thienyl]prop-2-enoyl]amino]-2-methyl-benzamide CAS Name: 3-[[(E)-3-[5-(3-bromophenyl)-2-thiophenyl]-1-oxoprop-2-enyl]amino]-2-methylbenzamide IUPAC Name: 3-[[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]-2-methylbenzamide Traditional Name: 3-[[(E)-3-[5-(3-bromophenyl)-2-thienyl]acryloyl]amino]-2-methyl-benzamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C=CC2=CC=C(S2)C3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)/C=C/C2=CC=C(S2)C3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C21H17BrN2O2S/c1-13-17(21(23)26)6-3-7-18(13)24-20(25)11-9-16-8-10-19(27-16)14-4-2-5-15(22)12-14/h2-12H,1H3,(H2,23,26)(H,24,25)/b11-9+