N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-bis(chloranyl)thiophene-3-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-bis(chloranyl)thiophene-3-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dichloro-thiophene-3-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dichloro-3-thiophenecarboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dichlorothiophene-3-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2,5-dichloro-thiophene-3-carboxamide Formula: C17H11Cl2N3O2S2 MolecularWeight: 424.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N3O2S2/c1-3-6-22-12-5-4-10(20-9(2)23)7-13(12)25-17(22)21-16(24)11-8-14(18)26-15(11)19/h1,4-5,7-8H,6H2,2H3,(H,20,23)