2-[methyl-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[(2-isopentyloxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl-[[2-(3-methylbutoxy)benzoyl]carbamothioyl]amino]-N-phenethylbenzamide Traditional Name: 2-[(2-isoamoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-21(2)18-20-35-26-16-10-8-14-24(26)28(34)31-29(36)32(3)25-15-9-7-13-23(25)27(33)30-19-17-22-11-5-4-6-12-22/h4-16,21H,17-20H2,1-3H3,(H,30,33)(H,31,34,36)