N-[4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-quinazolin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-quinazolin-3-yl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-2-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]quinazolin-3-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-2-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-3-quinazolinyl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-2-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylquinazolin-3-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-2-[1-(3-pyridylmethylcarbamoyl)propylthio]quinazolin-3-yl]thiophene-2-carboxamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N5O3S2/c1-2-18(20(29)25-14-15-7-5-11-24-13-15)33-23-26-17-9-4-3-8-16(17)22(31)28(23)27-21(30)19-10-6-12-32-19/h3-13,18H,2,14H2,1H3,(H,25,29)(H,27,30)