3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,8-dimethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,8-dimethyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxo-propyl]-7-hydroxy-4,8-dimethyl-chromen-2-one CAS Name: 3-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-oxopropyl]-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl]-7-hydroxy-4,8-dimethylchromen-2-one Traditional Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazino]-3-keto-propyl]-7-hydroxy-4,8-dimethyl-coumarin Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H25N3O4S/c1-15-17-7-9-20(29)16(2)23(17)32-25(31)18(15)8-10-22(30)27-11-13-28(14-12-27)24-19-5-3-4-6-21(19)33-26-24/h3-7,9,29H,8,10-14H2,1-2H3