N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCSCC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCSCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C21H23N3O2S/c1-15-7-8-17(11-16(15)2)21(26)24-13-20(25)23-9-10-27-14-19-6-4-3-5-18(19)12-22/h3-8,11H,9-10,13-14H2,1-2H3,(H,23,25)(H,24,26)