N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S2/c1-5-11-24-17-13-18(27-3)19(28-4)14-20(17)30-22(24)23-21(25)10-12-29-16-8-6-15(26-2)7-9-16/h1,6-9,13-14H,10-12H2,2-4H3