4-azanyl-N5-(3-methoxyphenyl)-N5-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(3-methoxyphenyl)-N5-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-1-methyl-2-oxo-ethyl]-N5-(3-methoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3-methoxyphenyl)-N5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(benzylamino)-1-oxopropan-2-yl]-5-N-(3-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-methyl-ethyl]-N'-(3-methoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N(C2=CC(=CC=C2)OC)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)N(C2=CC(=CC=C2)OC)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C22H23N5O4S/c1-13(21(29)25-12-14-7-4-3-5-8-14)27(15-9-6-10-16(11-15)31-2)22(30)19-17(23)18(20(24)28)26-32-19/h3-11,13H,12,23H2,1-2H3,(H2,24,28)(H,25,29)