N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-chloro-benzothiophene-2-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-chloro-benzothiophene-2-carboxamide Formula: C21H14ClN3O2S2 MolecularWeight: 439.93776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC#C

InChI

InChI=1S/C21H14ClN3O2S2/c1-3-10-25-15-9-8-13(23-12(2)26)11-17(15)29-21(25)24-20(27)19-18(22)14-6-4-5-7-16(14)28-19/h1,4-9,11H,10H2,2H3,(H,23,26)