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

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-benzylsulfonyl-N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-benzylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S2/c1-4-14-26-21-13-12-20(18(2)3)16-22(21)30-24(26)25-23(27)11-8-15-31(28,29)17-19-9-6-5-7-10-19/h1,5-7,9-10,12-13,16,18H,8,11,14-15,17H2,2-3H3