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

Systemtic Name: N-[(4-bromophenyl)carbamoyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-bromophenyl)carbamoyl]-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-[(4-bromophenyl)carbamoyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-[(4-bromophenyl)carbamoyl]-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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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)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O3S/c1-11-4-9-16-15(10-11)18(27)25(3)20(23-16)29-12(2)17(26)24-19(28)22-14-7-5-13(21)6-8-14/h4-10,12H,1-3H3,(H2,22,24,26,28)