3-nitro-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-13(2)14-6-8-19(26)16(11-14)22-21(30)23-20(27)15-5-7-17(18(12-15)25(28)29)24-9-3-4-10-24/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H2,22,23,27,30)