3-bromanyl-N-(cyclopentylcarbamothioyl)-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-(cyclopentylcarbamothioyl)-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-(cyclopentylcarbamothioyl)-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(cyclopentylamino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-(cyclopentylcarbamothioyl)-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-(cyclopentylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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