3-ethyl-N-(2-methoxyethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-(2-methoxyethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-ethyl-N-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-ethyl-N-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-ethyl-4-keto-N-(2-methoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCOC)CC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCOC)CC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H23N3O3S/c1-3-24-20(26)17-10-9-16(13-18(17)22-21(24)28)19(25)23(11-12-27-2)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,28)