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

Systemtic Name: 4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[5-(1H-indol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thiocarbamoylamino]benzoic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c1-29-21-11-8-16(19-12-15-4-2-3-5-18(15)25-19)13-20(21)26-23(30)24-17-9-6-14(7-10-17)22(27)28/h2-13,25H,1H3,(H,27,28)(H2,24,26,30)