N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=CC=C(N1C)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H26N4O2S/c1-15-11-12-16(24(15)2)14-22-19(26)10-4-3-7-13-25-20(27)17-8-5-6-9-18(17)23-21(25)28/h5-6,8-9,11-12H,3-4,7,10,13-14H2,1-2H3,(H,22,26)(H,23,28)