N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

InChI

InChI=1S/C20H21ClN2O3S2/c1-14-16(21)10-11-17-19(14)23(2)20(27-17)22-18(24)9-6-12-28(25,26)13-15-7-4-3-5-8-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3