2-ethoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-ethoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 2-ethoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-ethoxy-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-ethoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-ethoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O3S/c1-2-27-18-8-4-3-7-17(18)19(25)23-21(28)22-16-11-9-15(10-12-16)20(26)24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,23,25,28)