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

Systemtic Name: N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5S/c1-19(2)18-35-23-13-11-20(12-14-23)26(32)29-30-27(36)28-25(31)21-7-6-10-24(17-21)34-16-15-33-22-8-4-3-5-9-22/h3-14,17,19H,15-16,18H2,1-2H3,(H,29,32)(H2,28,30,31,36)