N-(oxolan-2-ylmethyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-pentoxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C25H31N3O4S/c1-2-3-4-14-31-21-12-10-18(11-13-21)24(30)28-25(33)27-20-8-5-7-19(16-20)23(29)26-17-22-9-6-15-32-22/h5,7-8,10-13,16,22H,2-4,6,9,14-15,17H2,1H3,(H,26,29)(H2,27,28,30,33)