N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C25H21N5O2S/c31-22(12-13-30-24(32)18-8-4-5-9-19(18)28-25(30)33)29-23(16-6-2-1-3-7-16)17-10-11-20-21(14-17)27-15-26-20/h1-11,14-15,23H,12-13H2,(H,26,27)(H,28,33)(H,29,31)