N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-keto-1H-quinazoline-2-carbothioamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2CC2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=C2CC2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H17N3O2S/c1-25-14-10-8-13(9-11-14)17(12-6-7-12)22-20(26)18-21-16-5-3-2-4-15(16)19(24)23-18/h2-5,8-11H,6-7H2,1H3,(H,22,26)(H,21,23,24)