4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-[[(2S)-2-oxolanyl]methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbothioamide Formula: C18H23ClN4OS2 MolecularWeight: 410.98442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C18H23ClN4OS2/c19-13-4-5-15-16(11-13)26-18(21-15)23-7-2-6-22(8-9-23)17(25)20-12-14-3-1-10-24-14/h4-5,11,14H,1-3,6-10,12H2,(H,20,25)/t14-/m0/s1