3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylanilino]-3-oxo-propanoic acid CAS Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]anilino]-3-keto-propionic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC(=O)CC(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C18H18N4O3S/c23-16(11-17(24)25)21-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)22-18-19-9-10-20-18/h1-8H,9-11H2,(H,21,23)(H,24,25)(H2,19,20,22)