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

Systemtic Name: 4-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 4-(2-phenoxyethoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: 4-(2-phenoxyethoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-(2-phenoxyethoxy)-N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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