5-bromanyl-N-(cyclopentylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(cyclopentylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(cyclopentylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(cyclopentylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(cyclopentylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(cyclopentylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2S/c22-16-10-11-19(26-13-12-15-6-2-1-3-7-15)18(14-16)20(25)24-21(27)23-17-8-4-5-9-17/h1-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,(H2,23,24,25,27)