N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-3-methyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-3-methyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)phenyl]-3-methyl-benzamide CAS Name: N-[2,5-diethoxy-4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-3-methylbenzamide Traditional Name: N-[2,5-diethoxy-4-(tetrahydrofurfurylthiocarbamoylamino)phenyl]-3-methyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-4-29-21-14-20(27-24(32)25-15-18-10-7-11-31-18)22(30-5-2)13-19(21)26-23(28)17-9-6-8-16(3)12-17/h6,8-9,12-14,18H,4-5,7,10-11,15H2,1-3H3,(H,26,28)(H2,25,27,32)