N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)NC1=S

InChI

InChI=1S/C21H22ClN3O3S/c1-2-28-10-4-9-25-20(27)17-8-7-15(12-18(17)24-21(25)29)19(26)23-13-14-5-3-6-16(22)11-14/h3,5-8,11-12H,2,4,9-10,13H2,1H3,(H,23,26)(H,24,29)