3-[(phenylmethyl)-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(phenylmethyl)-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-[benzyl-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]propionamide Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H22N4O2S2/c25-21(29)12-13-28(15-17-7-2-1-3-8-17)22(30)16-32-24-18-9-4-5-10-19(18)26-23(27-24)20-11-6-14-31-20/h1-11,14H,12-13,15-16H2,(H2,25,29)