N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC#C

InChI

InChI=1S/C23H24N2O3S2/c1-4-12-25-20-14-17(2)18(3)15-21(20)29-23(25)24-22(26)11-8-13-30(27,28)16-19-9-6-5-7-10-19/h1,5-7,9-10,14-15H,8,11-13,16H2,2-3H3