N-[2-(3-chloranylphenoxy)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3-chloranylphenoxy)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(3-chlorophenoxy)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3-chlorophenoxy)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3-chlorophenoxy)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(3-chlorophenoxy)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=CC(=CC=C3)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=CC(=CC=C3)Cl)NC1=S

InChI

InChI=1S/C20H18ClN3O3S/c1-2-9-24-19(26)16-7-6-13(11-17(16)23-20(24)28)18(25)22-8-10-27-15-5-3-4-14(21)12-15/h2-7,11-12H,1,8-10H2,(H,22,25)(H,23,28)