4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H22N2O2S3 MolecularWeight: 442.61728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC#C

InChI

InChI=1S/C22H22N2O2S3/c1-4-13-24-19-12-11-18(27-3)15-20(19)29-22(24)23-21(25)6-5-14-28-17-9-7-16(26-2)8-10-17/h1,7-12,15H,5-6,13-14H2,2-3H3