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

Systemtic Name: ethyl 4-[4-[(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[oxo-[(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)amino]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H34N4O5S2 MolecularWeight: 558.71266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O5S2/c1-5-13-31-23-12-9-21(19(3)4)18-24(23)37-26(31)28-25(32)20-7-10-22(11-8-20)38(34,35)30-16-14-29(15-17-30)27(33)36-6-2/h7-12,18-19H,5-6,13-17H2,1-4H3