4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN5OS/c22-17-9-7-16(8-10-17)15-19-24-21(29-25-19)27-12-4-11-26(13-14-27)20(28)23-18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2,(H,23,28)