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

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[cyclopropyl(phenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[cyclopropyl(phenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[cyclopropyl(phenyl)methyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3CC3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3CC3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C23H25N3O3S/c1-29-13-5-12-26-22(28)18-11-10-17(14-19(18)24-23(26)30)21(27)25-20(16-8-9-16)15-6-3-2-4-7-15/h2-4,6-7,10-11,14,16,20H,5,8-9,12-13H2,1H3,(H,24,30)(H,25,27)