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

Systemtic Name: 4-azanyl-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-ethyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-ethyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C20H19N5O3S/c21-16-17(19(22)27)24-29-18(16)20(28)25(14-9-5-2-6-10-14)12-15(26)23-11-13-7-3-1-4-8-13/h1-10H,11-12,21H2,(H2,22,27)(H,23,26)