4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S2/c1-3-14-23-18-7-4-5-8-19(18)27-21(23)22-20(24)9-6-15-26-17-12-10-16(25-2)11-13-17/h1,4-5,7-8,10-13H,6,9,14-15H2,2H3