N-[2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(CNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C25H22N4O2S/c30-24(11-12-29-16-28-22-9-4-2-7-18(22)25(29)31)27-15-20(23-10-5-13-32-23)19-14-26-21-8-3-1-6-17(19)21/h1-10,13-14,16,20,26H,11-12,15H2,(H,27,30)