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

Systemtic Name: 3-phenethyloxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-phenethyloxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: 3-phenethyloxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-phenethyloxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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(=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c31-25(22-9-6-10-24(19-22)33-18-15-20-7-2-1-3-8-20)29-27(34)28-23-13-11-21(12-14-23)26(32)30-16-4-5-17-30/h1-3,6-14,19H,4-5,15-18H2,(H2,28,29,31,34)