N-tert-butyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C20H29N5OS/c1-15-6-8-16(9-7-15)14-17-21-19(27-23-17)25-11-5-10-24(12-13-25)18(26)22-20(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,22,26)