N-butyl-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-3-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

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