N-butan-2-yl-2-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-3-19(2)28-25(31)21-13-7-9-15-23(21)29-27(35)30-26(32)22-14-8-10-16-24(22)34-18-17-33-20-11-5-4-6-12-20/h4-16,19H,3,17-18H2,1-2H3,(H,28,31)(H2,29,30,32,35)