3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-19(2)14-15-33-24-13-7-11-22(17-24)26(32)30-27(34)29-23-12-6-10-21(16-23)25(31)28-18-20-8-4-3-5-9-20/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,28,31)(H2,29,30,32,34)