S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) isoquinoline-1-carbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) isoquinoline-1-carbothioate Openeye Name: S-(1-carbamoylvinyl) isoquinoline-1-carbothioate CAS Name: 1-isoquinolinecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) isoquinoline-1-carbothioate Traditional Name: isoquinoline-1-carbothioic acid S-(1-carbamoylvinyl) ester Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)C1=NC=CC2=CC=CC=C21

Isomeric SMILES

C=C(C(=O)N)SC(=O)C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C13H10N2O2S/c1-8(12(14)16)18-13(17)11-10-5-3-2-4-9(10)6-7-15-11/h2-7H,1H2,(H2,14,16)