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

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C21H23BrN4O3S/c1-13-10-16(22)11-14(2)19(13)23-21(30)24-20(27)15-6-7-17(18(12-15)26(28)29)25-8-4-3-5-9-25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,23,24,27,30)