N-methyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H25N3O2S/c1-3-4-8-13-25-21(27)18-12-11-17(14-19(18)23-22(25)28)20(26)24(2)15-16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3,(H,23,28)