2-[(carbamothioylamino)-phenazin-2-yl-amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(carbamothioylamino)-phenazin-2-yl-amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(carbamothioylamino)-phenazin-2-yl-amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[(carbamothioylamino)-(2-phenazinyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(carbamothioylamino)-phenazin-2-ylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[phenazin-2-yl(thioureido)amino]propionic acid Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)N(C(CC4=CC=C(C=C4)O)C(=O)O)NC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)N(C(CC4=CC=C(C=C4)O)C(=O)O)NC(=S)N

InChI

InChI=1S/C22H19N5O3S/c23-22(31)26-27(20(21(29)30)11-13-5-8-15(28)9-6-13)14-7-10-18-19(12-14)25-17-4-2-1-3-16(17)24-18/h1-10,12,20,28H,11H2,(H,29,30)(H3,23,26,31)