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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-3-30(4-2)26(32)21-9-8-10-22(19-21)28-27(35)29-25(31)20-13-15-24(16-14-20)34-18-17-33-23-11-6-5-7-12-23/h5-16,19H,3-4,17-18H2,1-2H3,(H2,28,29,31,35)