3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-cyclohexyl-benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-cyclohexyl-benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-cyclohexyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-cyclohexylbenzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-cyclohexylbenzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-cyclohexyl-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-2-3-16-31-22-14-12-18(13-15-22)23(29)28-25(32)27-21-11-7-8-19(17-21)24(30)26-20-9-5-4-6-10-20/h7-8,11-15,17,20H,2-6,9-10,16H2,1H3,(H,26,30)(H2,27,28,29,32)