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

Systemtic Name: ethyl 3-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylanilino]-3-oxo-propanoate CAS Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]anilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylanilino]-3-oxopropanoate Traditional Name: 3-[4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]anilino]-3-keto-propionic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

Isomeric SMILES

CCOC(=O)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

InChI

InChI=1S/C20H22N4O3S/c1-2-27-19(26)13-18(25)23-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)24-20-21-11-12-22-20/h3-10H,2,11-13H2,1H3,(H,23,25)(H2,21,22,24)