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

Systemtic Name: 3-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]coumarin Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H16N4O5S/c26-19(15-11-13-3-1-2-4-17(13)30-20(15)27)23-7-9-24(10-8-23)21-22-16-6-5-14(25(28)29)12-18(16)31-21/h1-6,11-12H,7-10H2