4-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H23ClN2O4S/c1-3-24(4-2)21(26)15-5-7-16(8-6-15)23-19(25)12-29-11-14-9-17(22)20-18(10-14)27-13-28-20/h5-10H,3-4,11-13H2,1-2H3,(H,23,25)