N-butan-2-yl-2-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-phenethyloxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[(4-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-phenethyloxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-3-19(2)28-26(32)23-11-7-8-12-24(23)29-27(34)30-25(31)21-13-15-22(16-14-21)33-18-17-20-9-5-4-6-10-20/h4-16,19H,3,17-18H2,1-2H3,(H,28,32)(H2,29,30,31,34)