N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC=C

InChI

InChI=1S/C21H21ClN2O3S2/c1-3-12-24-18-11-8-16(22)14-19(18)28-21(24)23-20(25)5-4-13-29(26,27)17-9-6-15(2)7-10-17/h3,6-11,14H,1,4-5,12-13H2,2H3