N-isothiocyanato-4-(7-methoxy-3-methyl-1-oxidanylidene-isoquinolin-2-yl)benzamide

Systemtic Name: N-isothiocyanato-4-(7-methoxy-3-methyl-1-oxidanylidene-isoquinolin-2-yl)benzamide Openeye Name: N-isothiocyanato-4-(7-methoxy-3-methyl-1-oxo-2-isoquinolyl)benzamide CAS Name: N-isothiocyanato-4-(7-methoxy-3-methyl-1-oxo-2-isoquinolinyl)benzamide IUPAC Name: N-isothiocyanato-4-(7-methoxy-3-methyl-1-oxoisoquinolin-2-yl)benzamide Traditional Name: N-isothiocyanato-4-(1-keto-7-methoxy-3-methyl-2-isoquinolyl)benzamide Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2)OC)C(=O)N1C3=CC=C(C=C3)C(=O)NN=C=S

Isomeric SMILES

CC1=CC2=C(C=C(C=C2)OC)C(=O)N1C3=CC=C(C=C3)C(=O)NN=C=S

InChI

InChI=1S/C19H15N3O3S/c1-12-9-14-5-8-16(25-2)10-17(14)19(24)22(12)15-6-3-13(4-7-15)18(23)21-20-11-26/h3-10H,1-2H3,(H,21,23)