N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-propoxybenzoyl)carbamothioylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-propoxybenzoyl)thiocarbamoylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]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=C2C(=O)NCC3CCCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C23H27N3O4S/c1-2-13-29-17-11-9-16(10-12-17)21(27)26-23(31)25-20-8-4-3-7-19(20)22(28)24-15-18-6-5-14-30-18/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H,24,28)(H2,25,26,27,31)/t18-/m1/s1