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

Systemtic Name: 2-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(p-tolyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(p-tolyl)methyl]-1,3-benzothiazole Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C20H23N3S/c1-15-7-9-16(10-8-15)19(23-13-4-11-21-12-14-23)20-22-17-5-2-3-6-18(17)24-20/h2-3,5-10,19,21H,4,11-14H2,1H3