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

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butyramide Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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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)Cl)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O2S2/c1-3-12-24-18-11-6-15(22)14-19(18)28-21(24)23-20(25)5-4-13-27-17-9-7-16(26-2)8-10-17/h1,6-11,14H,4-5,12-13H2,2H3