N-[(2-methylquinolin-8-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-methyl-8-quinolyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-methyl-8-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=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C=C1

InChI

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