N-butan-2-yl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-pentoxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

InChI

InChI=1S/C24H31N3O3S/c1-4-6-9-16-30-19-14-12-18(13-15-19)22(28)27-24(31)26-21-11-8-7-10-20(21)23(29)25-17(3)5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,25,29)(H2,26,27,28,31)