4-chloranyl-3-nitro-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-chloro-3-nitro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-chloro-3-nitro-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-chloro-3-nitro-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H16ClN3O4S/c22-17-6-4-14(11-18(17)25(28)29)20(26)23-16-5-3-13-7-8-24(12-15(13)10-16)21(27)19-2-1-9-30-19/h1-6,9-11H,7-8,12H2,(H,23,26)