(2R)-N-cyclopropyl-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopropyl-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]propionamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-12(18(25)21-13-6-7-13)29-20-22-17-5-3-2-4-16(17)19(26)23(20)14-8-10-15(11-9-14)24(27)28/h2-5,8-13H,6-7H2,1H3,(H,21,25)/t12-/m1/s1