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

Systemtic Name: ethyl 4-[4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[oxo-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C24H24N4O5S2 MolecularWeight: 512.60116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC#C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC#C

InChI

InChI=1S/C24H24N4O5S2/c1-3-13-28-20-7-5-6-8-21(20)34-23(28)25-22(29)18-9-11-19(12-10-18)35(31,32)27-16-14-26(15-17-27)24(30)33-4-2/h1,5-12H,4,13-17H2,2H3