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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C18H21N3O3S/c25-18(19-14-4-5-16-17(11-14)24-13-23-16)21-7-2-6-20(8-9-21)12-15-3-1-10-22-15/h1,3-5,10-11H,2,6-9,12-13H2,(H,19,25)