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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[3-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(3-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3CCCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3CCCC3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-2-26-18-9-8-14(12-17(18)21)19(25)23-20(27)22-15-6-5-7-16(13-15)24-10-3-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,25,27)