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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[[(4-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(C3CCC(CC3)N)C(=O)C4CC4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4CC4

InChI

InChI=1S/C21H26ClN5O2S/c1-12-19(30-26-25-12)20(28)24-16-6-9-18(22)14(10-16)11-27(21(29)13-2-3-13)17-7-4-15(23)5-8-17/h6,9-10,13,15,17H,2-5,7-8,11,23H2,1H3,(H,24,28)