N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-2-(4-methylsulfanylphenyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-[4-(methylthio)phenyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-2-[4-(methylthio)phenyl]vinyl]-4-methyl-benzamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)SC)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)SC)/C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H27N3O2S/c1-19-7-11-21(12-8-19)27(32)31-26(17-20-9-13-23(34-2)14-10-20)28(33)29-16-15-22-18-30-25-6-4-3-5-24(22)25/h3-14,17-18,30H,15-16H2,1-2H3,(H,29,33)(H,31,32)/b26-17+