N-(7-methoxy-2,2,4-trimethyl-quinolin-1-yl)carbothioyl-3-nitro-benzamide

Systemtic Name: N-(7-methoxy-2,2,4-trimethyl-quinolin-1-yl)carbothioyl-3-nitro-benzamide Openeye Name: N-(7-methoxy-2,2,4-trimethyl-quinoline-1-carbothioyl)-3-nitro-benzamide CAS Name: N-[(7-methoxy-2,2,4-trimethyl-1-quinolinyl)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(7-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)-3-nitrobenzamide Traditional Name: N-(7-methoxy-2,2,4-trimethyl-quinoline-1-carbothioyl)-3-nitro-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=CC(=C2)OC)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=CC(=C2)OC)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C21H21N3O4S/c1-13-12-21(2,3)23(18-11-16(28-4)8-9-17(13)18)20(29)22-19(25)14-6-5-7-15(10-14)24(26)27/h5-12H,1-4H3,(H,22,25,29)