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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-19(2)17-25(31)28-21-11-13-22(14-12-21)29-27(35)30-26(32)20-7-6-10-24(18-20)34-16-15-33-23-8-4-3-5-9-23/h3-14,18-19H,15-17H2,1-2H3,(H,28,31)(H2,29,30,32,35)