3-(3-methoxypropyl)-4-oxidanylidene-N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(3-phenylsulfanylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-[3-(phenylthio)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[3-(phenylthio)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H25N3O3S2/c1-28-13-6-12-25-21(27)18-10-9-16(15-19(18)24-22(25)29)20(26)23-11-5-14-30-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,23,26)(H,24,29)