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

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: N-(mesitylthiocarbamoyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O3S/c1-13-10-14(2)19(15(3)11-13)22-21(29)23-20(26)16-6-7-17(18(12-16)25(27)28)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,22,23,26,29)