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

Systemtic Name: N-butan-2-yl-2-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[[4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

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