N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-3-methyl-butanamide

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholinopropylcarbamothioylamino)phenyl]-3-methyl-butanamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-3-methylbutanamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C23H38N4O4S MolecularWeight: 466.63722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NCCCN2CCOCC2

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NCCCN2CCOCC2

InChI

InChI=1S/C23H38N4O4S/c1-5-30-20-16-19(21(31-6-2)15-18(20)25-22(28)14-17(3)4)26-23(32)24-8-7-9-27-10-12-29-13-11-27/h15-17H,5-14H2,1-4H3,(H,25,28)(H2,24,26,32)