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

Systemtic Name: ethyl 4-[4-[(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H32N4O5S2 MolecularWeight: 544.68608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H32N4O5S2/c1-4-13-30-22-12-7-19(5-2)18-23(22)36-25(30)27-24(31)20-8-10-21(11-9-20)37(33,34)29-16-14-28(15-17-29)26(32)35-6-3/h7-12,18H,4-6,13-17H2,1-3H3