N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

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