3-[8-(2-azanylethanoylamino)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-N-phenyl-propanamide

Systemtic Name: 3-[8-(2-azanylethanoylamino)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[8-[(2-aminoacetyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenyl-propanamide CAS Name: 3-[8-[(2-amino-1-oxoethyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenylpropanamide IUPAC Name: 3-[8-[(2-aminoacetyl)amino]-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-N-phenylpropanamide Traditional Name: 2-cyano-3-[8-(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/c29-14-21(28(37)32-17-7-3-1-4-8-17)27(36)25-22-16-38-23-12-11-18(31-24(35)15-30)13-20(23)26(22)34(33-25)19-9-5-2-6-10-19/h1-13,21H,15-16,30H2,(H,31,35)(H,32,37)