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

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

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

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