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

Systemtic Name: 4-(2-phenoxyethoxy)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 4-(2-phenoxyethoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: 4-(2-phenoxyethoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-(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=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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