4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2,2-diphenylethyl)-1,4-diazepane-1-carbothioamide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-20-25(21(2)31-28-20)19-29-14-9-15-30(17-16-29)26(32)27-18-24(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,24H,9,14-19H2,1-2H3,(H,27,32)