N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-methyl-5-quinolyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-methyl-5-quinolyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c1-15-8-10-17-18(24-15)6-5-7-19(17)25-23(32)26-22(29)16-9-11-20(21(14-16)28(30)31)27-12-3-2-4-13-27/h5-11,14H,2-4,12-13H2,1H3,(H2,25,26,29,32)