4-(isoquinolin-5-ylamino)benzenecarbothioamide

Systemtic Name: 4-(isoquinolin-5-ylamino)benzenecarbothioamide Openeye Name: 4-(5-isoquinolylamino)benzenecarbothioamide CAS Name: 4-(5-isoquinolinylamino)benzenecarbothioamide IUPAC Name: 4-(isoquinolin-5-ylamino)benzenecarbothioamide Traditional Name: 4-(5-isoquinolylamino)thiobenzamide Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC3=CC=C(C=C3)C(=S)N

InChI

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