N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4,7-dichloro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propionamide Formula: C20H16Cl2N2O2S2 MolecularWeight: 451.38924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C

InChI

InChI=1S/C20H16Cl2N2O2S2/c1-3-11-24-18-15(21)8-9-16(22)19(18)28-20(24)23-17(25)10-12-27-14-6-4-13(26-2)5-7-14/h1,4-9H,10-12H2,2H3