2-[methyl-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[(4-isopentyloxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl-[[4-(3-methylbutoxy)benzoyl]carbamothioyl]amino]-N-phenethylbenzamide Traditional Name: 2-[(4-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=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

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