6-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-chloranyl-2,1,3-benzothiadiazole-4,7-dione

Systemtic Name: 6-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-chloranyl-2,1,3-benzothiadiazole-4,7-dione Openeye Name: 6-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-chloro-2,1,3-benzothiadiazole-4,7-dione CAS Name: 6-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-5-chloro-2,1,3-benzothiadiazole-4,7-dione IUPAC Name: 6-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-chloro-2,1,3-benzothiadiazole-4,7-dione Traditional Name: 5-[4-(1,3-benzoxazol-2-yl)piperazino]-6-chloro-piazthiole-4,7-quinone Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=NSN=C3C2=O)Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=NSN=C3C2=O)Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C17H12ClN5O3S/c18-11-14(16(25)13-12(15(11)24)20-27-21-13)22-5-7-23(8-6-22)17-19-9-3-1-2-4-10(9)26-17/h1-4H,5-8H2