N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C)C

InChI

InChI=1S/C22H22N2O3S2/c1-4-11-24-19-14-16(2)13-17(3)21(19)28-22(24)23-20(25)10-12-29(26,27)15-18-8-6-5-7-9-18/h1,5-9,13-14H,10-12,15H2,2-3H3