3-[5-methoxy-1-(phenylcarbamothioyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-(phenylcarbamothioyl)indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-(phenylcarbamothioyl)indol-3-yl]propanoic acid CAS Name: 3-[1-[anilino(sulfanylidene)methyl]-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(phenylcarbamothioyl)indol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-(phenylthiocarbamoyl)indol-3-yl]propionic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-24-15-8-9-17-16(11-15)13(7-10-18(22)23)12-21(17)19(25)20-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,25)(H,22,23)