N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H20N2O3S2 MolecularWeight: 460.5679

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H20N2O3S2/c1-3-15-27-22-14-13-21(32(2,29)30)17-23(22)31-25(27)26-24(28)20-11-9-19(10-12-20)16-18-7-5-4-6-8-18/h1,4-14,17H,15-16H2,2H3