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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C20H21N5O3S/c1-11(2)21-19(28)23-14-7-5-13(6-8-14)22-17(26)12-4-9-15-16(10-12)24-20(29)25(3)18(15)27/h4-11H,1-3H3,(H,22,26)(H,24,29)(H2,21,23,28)