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

Systemtic Name: 3-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O2S/c1-2-27-18-8-5-13(11-16(18)22)19(26)24-20(28)23-14-6-7-17(15(21)12-14)25-9-3-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H2,23,24,26,28)