N-isoquinolin-1-yl-3-(4-nitrophenyl)sulfanyl-benzamide

Systemtic Name: N-isoquinolin-1-yl-3-(4-nitrophenyl)sulfanyl-benzamide Openeye Name: N-(1-isoquinolyl)-3-(4-nitrophenyl)sulfanyl-benzamide CAS Name: N-(1-isoquinolinyl)-3-[(4-nitrophenyl)thio]benzamide IUPAC Name: N-isoquinolin-1-yl-3-(4-nitrophenyl)sulfanylbenzamide Traditional Name: N-(1-isoquinolyl)-3-[(4-nitrophenyl)thio]benzamide Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NC(=O)C3=CC(=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NC(=O)C3=CC(=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O3S/c26-22(24-21-20-7-2-1-4-15(20)12-13-23-21)16-5-3-6-19(14-16)29-18-10-8-17(9-11-18)25(27)28/h1-14H,(H,23,24,26)