N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[1-(methylamino)-2-oxidanyl-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[1-(methylamino)-2-oxidanyl-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[1-hydroxy-1-methyl-2-(methylamino)-2-oxo-ethyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-hydroxy-1-(methylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-hydroxy-1-(methylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[1-hydroxy-2-keto-1-methyl-2-(methylamino)ethyl]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)(C(=O)NC)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)(C(=O)NC)O

InChI

InChI=1S/C21H21N3O3S/c1-21(27,20(26)23-2)15-8-5-13(6-9-15)19(25)24-17-12-14(7-10-16(17)22)18-4-3-11-28-18/h3-12,27H,22H2,1-2H3,(H,23,26)(H,24,25)