N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxy-naphthalene-2-carboxamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3-methoxy-2-naphthamide Formula: C22H15BrN2O2S MolecularWeight: 451.3357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

InChI

InChI=1S/C22H15BrN2O2S/c1-3-10-25-18-9-8-16(23)13-20(18)28-22(25)24-21(26)17-11-14-6-4-5-7-15(14)12-19(17)27-2/h1,4-9,11-13H,10H2,2H3