N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

InChI=1S/C22H26N2O3S2/c1-16(2)18-11-12-19-20(14-18)28-22(24(19)3)23-21(25)10-7-13-29(26,27)15-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16H,7,10,13,15H2,1-3H3