N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]benzamide

Systemtic Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]benzamide Openeye Name: N-[2,5-diethoxy-4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)phenyl]benzamide CAS Name: N-[2,5-diethoxy-4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[2,5-diethoxy-4-(tetrahydrofurfurylthiocarbamoylamino)phenyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=S)NCC3CCCO3

InChI

InChI=1S/C23H29N3O4S/c1-3-28-20-14-19(26-23(31)24-15-17-11-8-12-30-17)21(29-4-2)13-18(20)25-22(27)16-9-6-5-7-10-16/h5-7,9-10,13-14,17H,3-4,8,11-12,15H2,1-2H3,(H,25,27)(H2,24,26,31)