3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-isopropylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-propan-2-ylphenyl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-(o-cumenylthiocarbamoyl)-4-pyrrolidino-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-14(2)16-7-3-4-8-17(16)22-21(29)23-20(26)15-9-10-18(19(13-15)25(27)28)24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H2,22,23,26,29)