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

Systemtic Name: 4-azanyl-N5-cyclohexyl-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-cyclohexyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclohexyl-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-cyclohexyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-methyl-ethyl]-N'-cyclohexyl-isothiazole-3,5-dicarboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N(C2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)N(C2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H27N5O3S/c1-13(20(28)24-12-14-8-4-2-5-9-14)26(15-10-6-3-7-11-15)21(29)18-16(22)17(19(23)27)25-30-18/h2,4-5,8-9,13,15H,3,6-7,10-12,22H2,1H3,(H2,23,27)(H,24,28)