2-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[(4-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[(4-isobutoxybenzoyl)thiocarbamoylamino]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

InChI

InChI=1S/C22H25N3O3S/c1-4-13-23-21(27)18-7-5-6-8-19(18)24-22(29)25-20(26)16-9-11-17(12-10-16)28-14-15(2)3/h4-12,15H,1,13-14H2,2-3H3,(H,23,27)(H2,24,25,26,29)