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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butyramide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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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/C21H22N2O2S2/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/h3-5,7-8,10-13H,1,6,9,14-15H2,2H3