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

Systemtic Name: 3-ethoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-2-27-18-7-5-6-16(14-18)19(25)23-21(28)22-17-10-8-15(9-11-17)20(26)24-12-3-4-13-24/h5-11,14H,2-4,12-13H2,1H3,(H2,22,23,25,28)