2-(isoquinolin-5-ylamino)benzenecarbothioamide

Systemtic Name: 2-(isoquinolin-5-ylamino)benzenecarbothioamide Openeye Name: 2-(5-isoquinolylamino)benzenecarbothioamide CAS Name: 2-(5-isoquinolinylamino)benzenecarbothioamide IUPAC Name: 2-(isoquinolin-5-ylamino)benzenecarbothioamide Traditional Name: 2-(5-isoquinolylamino)thiobenzamide Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H13N3S/c17-16(20)13-5-1-2-6-15(13)19-14-7-3-4-11-10-18-9-8-12(11)14/h1-10,19H,(H2,17,20)