N-[(2S)-butan-2-yl]-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-[(1S)-1-methylpropyl]benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-5-14(2)22-21(25)16-8-6-7-9-19(16)28-13-20(24)23-15-10-11-17(26-3)18(12-15)27-4/h6-12,14H,5,13H2,1-4H3,(H,22,25)(H,23,24)/t14-/m0/s1