[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C20H15BrN4O3S2 MolecularWeight: 503.3921

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN4O3S2/c21-13-1-3-15-17(11-13)30-20(22-15)24-7-5-23(6-8-24)19(26)18-10-12-9-14(25(27)28)2-4-16(12)29-18/h1-4,9-11H,5-8H2