1,3-benzodioxol-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C18H20N2O3S/c21-18(14-4-5-16-17(11-14)23-13-22-16)20-7-2-6-19(8-9-20)12-15-3-1-10-24-15/h1,3-5,10-11H,2,6-9,12-13H2