2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-11-4-9-16-15(10-11)18(27)24(3)20(22-16)31-12(2)17(26)23-19(28)21-13-5-7-14(8-6-13)25(29)30/h4-10,12H,1-3H3,(H2,21,23,26,28)