2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole Formula: C21H22N4S2 MolecularWeight: 394.55618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4S2/c1-3-8-18-16(6-1)22-20(26-18)14-24-10-5-11-25(13-12-24)15-21-23-17-7-2-4-9-19(17)27-21/h1-4,6-9H,5,10-15H2