3-[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=NN=C(CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=NN=C(CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN4O4S/c1-32-20-4-2-3-16-13-18(23(31)33-21(16)20)22(30)28-9-11-29(12-10-28)24-27-26-19(14-34-24)15-5-7-17(25)8-6-15/h2-8,13H,9-12,14H2,1H3