2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[3-[[[5-(1H-indol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)NC(=S)NC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)NC(=S)NC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C24H21N3O3S/c1-30-22-10-9-17(20-13-16-6-2-3-8-19(16)26-20)14-21(22)27-24(31)25-18-7-4-5-15(11-18)12-23(28)29/h2-11,13-14,26H,12H2,1H3,(H,28,29)(H2,25,27,31)