3-(2-phenoxyethoxy)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-phenoxyethoxy)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-(2-phenoxyethoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: 3-(2-phenoxyethoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-(2-phenoxyethoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c31-25(20-9-8-12-22(19-20)34-18-17-33-21-10-2-1-3-11-21)29-27(35)28-24-14-5-4-13-23(24)26(32)30-15-6-7-16-30/h1-5,8-14,19H,6-7,15-18H2,(H2,28,29,31,35)