4-oxidanylidene-N-prop-2-enyl-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-prop-2-enyl-1H-quinazoline-2-carbothioamide Openeye Name: N-allyl-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-prop-2-enyl-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-prop-2-enyl-1H-quinazoline-2-carbothioamide Traditional Name: N-allyl-4-keto-1H-quinazoline-2-carbothioamide Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

C=CCNC(=S)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H11N3OS/c1-2-7-13-12(17)10-14-9-6-4-3-5-8(9)11(16)15-10/h2-6H,1,7H2,(H,13,17)(H,14,15,16)