1,3-benzothiazol-6-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CSC=C4

InChI

InChI=1S/C18H19N3OS2/c22-18(15-2-3-16-17(10-15)24-13-19-16)21-6-1-5-20(7-8-21)11-14-4-9-23-12-14/h2-4,9-10,12-13H,1,5-8,11H2