3-[6-(2-azanylethanoylamino)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-N-phenyl-propanamide

Systemtic Name: 3-[6-(2-azanylethanoylamino)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[6-[(2-aminoacetyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenyl-propanamide CAS Name: 3-[6-[(2-amino-1-oxoethyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenylpropanamide IUPAC Name: 3-[6-[(2-aminoacetyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenylpropanamide Traditional Name: 2-cyano-3-[6-(glycylamino)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-keto-N-phenyl-propionamide Formula: C28H22N6O3S MolecularWeight: 522.57768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(S1)C(=CC=C3)NC(=O)CN)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=C(S1)C(=CC=C3)NC(=O)CN)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N6O3S/c29-14-20(28(37)31-17-8-3-1-4-9-17)26(36)24-21-16-38-27-19(12-7-13-22(27)32-23(35)15-30)25(21)34(33-24)18-10-5-2-6-11-18/h1-13,20H,15-16,30H2,(H,31,37)(H,32,35)