4-(6-ethoxycyclohepta[d]imidazol-2-yl)piperazine-1-carbothioic S-acid

Systemtic Name: 4-(6-ethoxycyclohepta[d]imidazol-2-yl)piperazine-1-carbothioic S-acid Openeye Name: 4-(6-ethoxycyclohepta[d]imidazol-2-yl)piperazine-1-carbothioic S-acid CAS Name: 4-(6-ethoxy-2-cyclohepta[d]imidazolyl)-1-piperazinecarbothioic S-acid IUPAC Name: 4-(6-ethoxycyclohepta[d]imidazol-2-yl)piperazine-1-carbothioic S-acid Traditional Name: 4-(6-ethoxycyclohept[d]imidazol-2-yl)piperazine-1-carbothioic S-acid Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C2C(=NC(=N2)N3CCN(CC3)C(=O)S)C=C1

Isomeric SMILES

CCOC1=CC=C2C(=NC(=N2)N3CCN(CC3)C(=O)S)C=C1

InChI

InChI=1S/C15H18N4O2S/c1-2-21-11-3-5-12-13(6-4-11)17-14(16-12)18-7-9-19(10-8-18)15(20)22/h3-6H,2,7-10H2,1H3,(H,20,22)