4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(3-methoxypropyl)benzamide

Systemtic Name: 4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 4-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 4-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-28-14-4-13-23-20(27)16-7-10-17(11-8-16)24-21(29)25-19(26)12-9-15-5-2-3-6-18(15)22/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,23,27)(H2,24,25,26,29)