N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]benzamide

Systemtic Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]benzamide Openeye Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]benzamide CAS Name: N-[2,5-diethoxy-4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[2,5-diethoxy-4-(3-methoxypropylthiocarbamoylamino)phenyl]benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-4-28-19-15-18(25-22(30)23-12-9-13-27-3)20(29-5-2)14-17(19)24-21(26)16-10-7-6-8-11-16/h6-8,10-11,14-15H,4-5,9,12-13H2,1-3H3,(H,24,26)(H2,23,25,30)