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

Systemtic Name: N-butan-2-yl-4-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 4-[[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=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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