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

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5S/c1-18(2)24(32)28-21-13-11-19(12-14-21)26(34)30-31-27(37)29-25(33)20-7-6-10-23(17-20)36-16-15-35-22-8-4-3-5-9-22/h3-14,17-18H,15-16H2,1-2H3,(H,28,32)(H,30,34)(H2,29,31,33,37)