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

Systemtic Name: N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)C(=O)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)C(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-4-25(13(2)26)12-14-6-5-7-16(10-14)22-19(27)15-8-9-17-18(11-15)23-21(29)24(3)20(17)28/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,29)