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

Systemtic Name: 4-methoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-27-17-9-8-13(12-16(17)23(25)26)18(24)21-19(28)20-14-6-2-3-7-15(14)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,20,21,24,28)