(3S,4S)-6-[2-(2-tert-butyl-4-oxidanylidene-quinazolin-3-yl)ethylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (3S,4S)-6-[2-(2-tert-butyl-4-oxidanylidene-quinazolin-3-yl)ethylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (3S,4S)-6-[2-(2-tert-butyl-4-oxo-quinazolin-3-yl)ethylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (3S,4S)-6-[2-(2-tert-butyl-4-oxo-3-quinazolinyl)ethylthio]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (3S,4S)-6-[2-(2-tert-butyl-4-oxoquinazolin-3-yl)ethylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (3S,4S)-6-[2-(2-tert-butyl-4-keto-quinazolin-3-yl)ethylthio]-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide Formula: C32H31N5O2S2 MolecularWeight: 581.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCCN4C(=O)C5=CC=CC=C5N=C4C(C)(C)C

Isomeric SMILES

CC1=NC(=C([C@H]([C@@H]1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCCN4C(=O)C5=CC=CC=C5N=C4C(C)(C)C

InChI

InChI=1S/C32H31N5O2S2/c1-20-26(28(38)35-21-11-6-5-7-12-21)27(25-15-10-17-40-25)23(19-33)29(34-20)41-18-16-37-30(39)22-13-8-9-14-24(22)36-31(37)32(2,3)4/h5-15,17,26-27H,16,18H2,1-4H3,(H,35,38)/t26-,27+/m1/s1