N-(4-bromanyl-3-methyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-12-10-14(5-7-16(12)21)22-18(25)13-4-6-15-17(11-13)23-20(28)24(19(15)26)8-3-9-27-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)(H,23,28)