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

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-propoxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-propoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C23H27N3O4S/c1-2-12-29-19-10-8-16(9-11-19)22(28)26-23(31)25-18-6-3-5-17(14-18)21(27)24-15-20-7-4-13-30-20/h3,5-6,8-11,14,20H,2,4,7,12-13,15H2,1H3,(H,24,27)(H2,25,26,28,31)