2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,3-benzothiazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC

InChI

InChI=1S/C22H27N3O2S/c1-3-27-19-15-16(9-10-18(19)26-2)21(25-13-6-11-23-12-14-25)22-24-17-7-4-5-8-20(17)28-22/h4-5,7-10,15,21,23H,3,6,11-14H2,1-2H3