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

Systemtic Name: N-butan-2-yl-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 3-[[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=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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