2-[4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[5-(1H-indol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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