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

Systemtic Name: 3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(3-isopentyloxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(3-isoamoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

InChI

InChI=1S/C23H29N3O3S/c1-4-12-24-21(27)17-7-5-9-19(14-17)25-23(30)26-22(28)18-8-6-10-20(15-18)29-13-11-16(2)3/h5-10,14-16H,4,11-13H2,1-3H3,(H,24,27)(H2,25,26,28,30)