N-(2-hydroxyethyl)-4-oxidanylidene-N-(phenylmethyl)-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H23N3O3S/c1-2-10-24-20(27)17-9-8-16(13-18(17)22-21(24)28)19(26)23(11-12-25)14-15-6-4-3-5-7-15/h3-9,13,25H,2,10-12,14H2,1H3,(H,22,28)