4-[2-[(3-cyanophenyl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[(3-cyanophenyl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(3-cyanophenyl)methylthio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(3-cyanobenzyl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H23N3O2S/c1-3-24(4-2)21(26)18-8-10-19(11-9-18)23-20(25)15-27-14-17-7-5-6-16(12-17)13-22/h5-12H,3-4,14-15H2,1-2H3,(H,23,25)