3-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]coumarin Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H16BrN3O3S/c22-14-5-6-16-18(12-14)29-21(23-16)25-9-7-24(8-10-25)19(26)15-11-13-3-1-2-4-17(13)28-20(15)27/h1-6,11-12H,7-10H2