5-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-N-(4-methylbenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C25H25N5O2S2/c1-16-10-12-17(13-11-16)14-26-22(31)23-29-28-21(34-23)15-33-25-27-20-9-5-4-8-19(20)24(32)30(25)18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,26,31)