4-chloranyl-N-[2,5-diethoxy-4-(2-methylpropylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[2,5-diethoxy-4-(2-methylpropylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-chloro-N-[2,5-diethoxy-4-(isobutylcarbamothioylamino)phenyl]benzamide CAS Name: 4-chloro-N-[2,5-diethoxy-4-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-chloro-N-[2,5-diethoxy-4-(2-methylpropylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-chloro-N-[2,5-diethoxy-4-(isobutylthiocarbamoylamino)phenyl]benzamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-5-28-19-12-18(26-22(30)24-13-14(3)4)20(29-6-2)11-17(19)25-21(27)15-7-9-16(23)10-8-15/h7-12,14H,5-6,13H2,1-4H3,(H,25,27)(H2,24,26,30)