N-cyclohexyl-N-methyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-cyclohexyl-N-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-N-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-cyclohexyl-N-methyl-benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C27H35N3O3S/c1-3-4-10-19-33-22-17-15-20(16-18-22)25(31)29-27(34)28-24-14-9-8-13-23(24)26(32)30(2)21-11-6-5-7-12-21/h8-9,13-18,21H,3-7,10-12,19H2,1-2H3,(H2,28,29,31,34)