N-(1,3-benzodioxol-5-yl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=NC=CS4

InChI

InChI=1S/C17H20N4O2S2/c24-17(19-13-2-3-14-15(10-13)23-12-22-14)21-6-1-5-20(7-8-21)11-16-18-4-9-25-16/h2-4,9-10H,1,5-8,11-12H2,(H,19,24)