N-[2,5-diethoxy-4-(furan-2-ylmethylcarbamothioylamino)phenyl]-3-methyl-butanamide

Systemtic Name: N-[2,5-diethoxy-4-(furan-2-ylmethylcarbamothioylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[2,5-diethoxy-4-(2-furylmethylcarbamothioylamino)phenyl]-3-methyl-butanamide CAS Name: N-[2,5-diethoxy-4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[2,5-diethoxy-4-(furan-2-ylmethylcarbamothioylamino)phenyl]-3-methylbutanamide Traditional Name: N-[2,5-diethoxy-4-(2-furfurylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C21H29N3O4S/c1-5-26-18-12-17(24-21(29)22-13-15-8-7-9-28-15)19(27-6-2)11-16(18)23-20(25)10-14(3)4/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,23,25)(H2,22,24,29)