4-azanyl-N5-(4-ethoxyphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

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