N-[(3,4-dimethoxyphenyl)methyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-veratryl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-14(2)23-20(24)13-28-19-8-6-5-7-16(19)21(25)22-12-15-9-10-17(26-3)18(11-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24)