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

Systemtic Name: 4-heptoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C26H33N3O3S/c1-2-3-4-5-8-19-32-23-15-11-20(12-16-23)24(30)28-26(33)27-22-13-9-21(10-14-22)25(31)29-17-6-7-18-29/h9-16H,2-8,17-19H2,1H3,(H2,27,28,30,33)