2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-pyridylmethyl)benzamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(2-pyridylmethyl)benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H21N3O2S/c1-16-9-11-17(12-10-16)25-21(26)15-28-20-8-3-2-7-19(20)22(27)24-14-18-6-4-5-13-23-18/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)