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

Systemtic Name: N-cyclohexyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5OS/c27-20(22-18-10-5-2-6-11-18)25-12-7-13-26(15-14-25)21-23-19(24-28-21)16-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,22,27)