N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-18(2)24(30)27-20-11-13-21(14-12-20)28-26(34)29-25(31)19-7-6-10-23(17-19)33-16-15-32-22-8-4-3-5-9-22/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)(H2,28,29,31,34)