6-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: 6-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-benzyl-6-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: 6-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-N-(phenylmethyl)-3-benzimidazolo[1,2-c]quinazolinecarboxamide IUPAC Name: N-benzyl-6-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-benzyl-6-[1-(3-pyridylmethylcarbamoyl)propylthio]benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C32H28N6O2S MolecularWeight: 560.66872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=NC6=CC=CC=C6N52

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=NC6=CC=CC=C6N52

InChI

InChI=1S/C32H28N6O2S/c1-2-28(31(40)35-20-22-11-8-16-33-18-22)41-32-37-26-17-23(30(39)34-19-21-9-4-3-5-10-21)14-15-24(26)29-36-25-12-6-7-13-27(25)38(29)32/h3-18,28H,2,19-20H2,1H3,(H,34,39)(H,35,40)