N,3-dimethyl-4-oxidanylidene-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N,3-dimethyl-4-oxidanylidene-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N,3-dimethyl-N-(1-methylbutyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N,3-dimethyl-4-oxo-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N,3-dimethyl-4-oxo-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N,3-dimethyl-N-(1-methylbutyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C

Isomeric SMILES

CCCC(C)N(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C

InChI

InChI=1S/C16H21N3O2S/c1-5-6-10(2)18(3)14(20)11-7-8-12-13(9-11)17-16(22)19(4)15(12)21/h7-10H,5-6H2,1-4H3,(H,17,22)