3-nitro-4-piperidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: N-(mesitylthiocarbamoyl)-3-nitro-4-piperidino-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O3S/c1-14-11-15(2)20(16(3)12-14)23-22(30)24-21(27)17-7-8-18(19(13-17)26(28)29)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,24,27,30)