2-[4-[[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]methyl]phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-[[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]methyl]phenyl]-1,3-benzothiazole Openeye Name: 2-[4-[[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]methyl]phenyl]-1,3-benzothiazole CAS Name: 2-[4-[[ethoxy-(4-methyl-1-piperazinyl)phosphoryl]methyl]phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-[[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]methyl]phenyl]-1,3-benzothiazole Traditional Name: 2-[4-[[ethoxy-(4-methylpiperazino)phosphoryl]methyl]phenyl]-1,3-benzothiazole Formula: C21H26N3O2PS MolecularWeight: 415.488801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCN(CC4)C

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCN(CC4)C

InChI

InChI=1S/C21H26N3O2PS/c1-3-26-27(25,24-14-12-23(2)13-15-24)16-17-8-10-18(11-9-17)21-22-19-6-4-5-7-20(19)28-21/h4-11H,3,12-16H2,1-2H3