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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)C4CC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)NC1=S

InChI

InChI=1S/C21H20N4O3S/c1-25-20(28)16-8-7-14(10-17(16)24-21(25)29)18(26)22-11-12-3-2-4-15(9-12)23-19(27)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,22,26)(H,23,27)(H,24,29)