2-acetamido-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

InChI

InChI=1S/C21H28N4O3S2/c1-6-25(7-2)19(27)12-29-21-24-16-9-8-15(11-18(16)30-21)23-20(28)17(10-13(3)4)22-14(5)26/h8-9,11,17H,3,6-7,10,12H2,1-2,4-5H3,(H,22,26)(H,23,28)