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

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)NC1=S

InChI

InChI=1S/C22H22N4O3S/c1-26-21(29)17-9-8-15(11-18(17)25-22(26)30)19(27)23-12-13-4-2-7-16(10-13)24-20(28)14-5-3-6-14/h2,4,7-11,14H,3,5-6,12H2,1H3,(H,23,27)(H,24,28)(H,25,30)