N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C23H24N2O3S2/c1-3-5-9-18-12-13-20-21(15-18)29-23(25(20)14-4-2)24-22(26)17-30(27,28)16-19-10-7-6-8-11-19/h2,6-8,10-13,15H,3,5,9,14,16-17H2,1H3