3-[2-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[4-(4-chlorophenyl)-5-methyl-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O3S/c1-11-17(12-6-8-13(22)9-7-12)25-21(31-11)24-16(28)10-27-20(30)15-5-3-2-4-14(15)18(26-27)19(23)29/h2-9H,10H2,1H3,(H2,23,29)(H,24,25,28)