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

Systemtic Name: 4-azanyl-N5-(3-methoxyphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-ethyl]-N5-(3-methoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3-methoxyphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-5-N-(3-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-ethyl]-N'-(3-methoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H21N5O4S/c1-30-15-9-5-8-14(10-15)26(12-16(27)24-11-13-6-3-2-4-7-13)21(29)19-17(22)18(20(23)28)25-31-19/h2-10H,11-12,22H2,1H3,(H2,23,28)(H,24,27)