3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(4-isopentyloxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(4-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=C(C=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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