N-(2-azanyl-2-oxidanylidene-ethyl)-N-[(4-bromophenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-N-[(4-bromophenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-amino-2-oxo-ethyl)-N-[(4-bromophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-amino-2-keto-ethyl)-N-(4-bromobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)Br)CC(=O)N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)Br)CC(=O)N)NC1=S

InChI

InChI=1S/C21H19BrN4O3S/c1-2-9-26-20(29)16-8-5-14(10-17(16)24-21(26)30)19(28)25(12-18(23)27)11-13-3-6-15(22)7-4-13/h2-8,10H,1,9,11-12H2,(H2,23,27)(H,24,30)