N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CC4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CC4

InChI

InChI=1S/C21H26ClN5O2S/c1-12-19(30-26-25-12)20(28)24-15-8-9-16(22)14(10-15)11-27(21(29)13-6-7-13)18-5-3-2-4-17(18)23/h8-10,13,17-18H,2-7,11,23H2,1H3,(H,24,28)