3-oxidanylidene-N-prop-2-enyl-1H-isoindole-2-carbothioamide

Systemtic Name: 3-oxidanylidene-N-prop-2-enyl-1H-isoindole-2-carbothioamide Openeye Name: N-allyl-1-oxo-isoindoline-2-carbothioamide CAS Name: 3-oxo-N-prop-2-enyl-1H-isoindole-2-carbothioamide IUPAC Name: 3-oxo-N-prop-2-enyl-1H-isoindole-2-carbothioamide Traditional Name: N-allyl-1-keto-isoindoline-2-carbothioamide Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC2=CC=CC=C2C1=O

Isomeric SMILES

C=CCNC(=S)N1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H12N2OS/c1-2-7-13-12(16)14-8-9-5-3-4-6-10(9)11(14)15/h2-6H,1,7-8H2,(H,13,16)