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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-methyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-N-methyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-methyl-4-oxo-3-pentyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-N-methyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-(1H-benzimidazol-2-ylmethylthio)-N-benzyl-4-keto-N-methyl-quinazoline-7-carboxamide Formula: C30H31N5O2S MolecularWeight: 525.66444

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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)N=C1SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H31N5O2S/c1-3-4-10-17-35-29(37)23-16-15-22(28(36)34(2)19-21-11-6-5-7-12-21)18-26(23)33-30(35)38-20-27-31-24-13-8-9-14-25(24)32-27/h5-9,11-16,18H,3-4,10,17,19-20H2,1-2H3,(H,31,32)