4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[4-(3-thenyl)-1,4-diazepan-1-yl]sulfonyl]piazthiole Formula: C16H18N4O2S3 MolecularWeight: 394.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CSC=C4

InChI

InChI=1S/C16H18N4O2S3/c21-25(22,15-4-1-3-14-16(15)18-24-17-14)20-7-2-6-19(8-9-20)11-13-5-10-23-12-13/h1,3-5,10,12H,2,6-9,11H2