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

Systemtic Name: 4-azanyl-N5-(4-cyclohexylphenyl)-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-cyclohexylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-cyclohexylphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-ethyl]-N'-(4-cyclohexylphenyl)isothiazole-3,5-dicarboxamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C26H29N5O3S/c27-22-23(25(28)33)30-35-24(22)26(34)31(16-21(32)29-15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15-16,27H2,(H2,28,33)(H,29,32)