5-isothiocyanato-2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-[5-[(4-methylpiperazino)methyl]-2-thienyl]-1,3-benzoxazole Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(S2)C3=NC4=C(O3)C=CC(=C4)N=C=S

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(S2)C3=NC4=C(O3)C=CC(=C4)N=C=S

InChI

InChI=1S/C18H18N4OS2/c1-21-6-8-22(9-7-21)11-14-3-5-17(25-14)18-20-15-10-13(19-12-24)2-4-16(15)23-18/h2-5,10H,6-9,11H2,1H3