5-nitro-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-nitro-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-nitro-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-nitro-3-[(4-phenyl-1-piperazinyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-nitro-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-nitro-3-[(4-phenylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=S)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=S)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O3S/c23-22(24)15-6-7-17-16(12-15)21(18(26)25-17)13-19-8-10-20(11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2