N-[(4-dimethylaminophenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-dimethylaminophenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-dimethylaminophenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-dimethylaminophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-dimethylaminophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-24(2)17-9-7-16(8-10-17)22-21(30)23-20(27)15-6-11-18(19(14-15)26(28)29)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13H2,1-2H3,(H2,22,23,27,30)