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

Systemtic Name: 2-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]-1,3-benzothiazole Formula: C20H23N3S2 MolecularWeight: 369.54672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C20H23N3S2/c1-24-16-9-7-15(8-10-16)19(23-13-4-11-21-12-14-23)20-22-17-5-2-3-6-18(17)25-20/h2-3,5-10,19,21H,4,11-14H2,1H3