ethyl 4-[4-[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H30N4O7S2 MolecularWeight: 562.6583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)OC)OC

InChI

InChI=1S/C25H30N4O7S2/c1-5-29-22-20(35-4)15-18(34-3)16-21(22)37-24(29)26-23(30)17-7-9-19(10-8-17)38(32,33)28-13-11-27(12-14-28)25(31)36-6-2/h7-10,15-16H,5-6,11-14H2,1-4H3