N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-13-8-10-25(11-9-13)19-7-6-15(12-17(19)22)23-21(30)24-20(27)16-4-3-5-18(14(16)2)26(28)29/h3-7,12-13H,8-11H2,1-2H3,(H2,23,24,27,30)