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

Systemtic Name: 4-azanyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[2-(cyclopentylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxoethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[2-(cyclopentylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C19H23N5O3S/c20-15-16(18(21)26)23-28-17(15)19(27)24(10-12-6-2-1-3-7-12)11-14(25)22-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11,20H2,(H2,21,26)(H,22,25)