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

Systemtic Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[4-(morpholinomethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-(4-morpholinylmethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[4-(morpholinomethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H22N4O3S/c26-19(16-5-6-17-18(11-16)23-21(29)24-20(17)27)22-12-14-1-3-15(4-2-14)13-25-7-9-28-10-8-25/h1-6,11H,7-10,12-13H2,(H,22,26)(H2,23,24,27,29)