2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-2-3-9-18-32-21-16-14-19(15-17-21)24(30)29-26(33)28-23-13-8-7-12-22(23)25(31)27-20-10-5-4-6-11-20/h4-8,10-17H,2-3,9,18H2,1H3,(H,27,31)(H2,28,29,30,33)