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

Systemtic Name: 2-[1,4-diazepan-1-yl-(4-ethylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(4-ethylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(4-ethylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(4-ethylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(4-ethylphenyl)methyl]-1,3-benzothiazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H25N3S/c1-2-16-8-10-17(11-9-16)20(24-14-5-12-22-13-15-24)21-23-18-6-3-4-7-19(18)25-21/h3-4,6-11,20,22H,2,5,12-15H2,1H3