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

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-2-28-18-10-9-14(13-17(18)24(26)27)19(25)22-20(29)21-15-7-3-4-8-16(15)23-11-5-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22,25,29)