N-(2-acetamidoethyl)-4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-(2-acetamidoethyl)-4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-(2-acetamidoethyl)-4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-(2-acetamidoethyl)-4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide IUPAC Name: N-(2-acetamidoethyl)-4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: N-(2-acetamidoethyl)-4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C20H19BrN4O3S/c1-12(26)22-8-9-23-18(27)14-4-2-13(3-5-14)11-25-19(28)16-10-15(21)6-7-17(16)24-20(25)29/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,27)(H,24,29)