2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-benzyl-2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O3S/c1-3-30-13-7-12-27-22(29)19-11-10-18(24)14-20(19)26-23(27)31-16(2)21(28)25-15-17-8-5-4-6-9-17/h4-6,8-11,14,16H,3,7,12-13,15H2,1-2H3,(H,25,28)