N-(2-morpholin-4-ylethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-morpholinoethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-morpholinoethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H30N6O2S/c30-21(22-7-10-25-13-15-28-16-14-25)27-9-4-8-26(11-12-27)17-19-23-20(29-24-19)18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2,(H,22,30)