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

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-benzylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-benzylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C)C

InChI

InChI=1S/C21H24N2O3S2/c1-15-11-12-18-20(16(15)2)23(3)21(27-18)22-19(24)10-7-13-28(25,26)14-17-8-5-4-6-9-17/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3