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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)NC1=S

InChI

InChI=1S/C20H18N4O3S/c1-24-19(27)15-8-5-12(10-16(15)23-20(24)28)18(26)22-14-4-2-3-11(9-14)17(25)21-13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,21,25)(H,22,26)(H,23,28)