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

Systemtic Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butanamide CAS Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butyramide Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C23H26N2O3S2/c1-3-14-25-20-13-12-18(4-2)16-21(20)29-23(25)24-22(26)11-8-15-30(27,28)17-19-9-6-5-7-10-19/h3,5-7,9-10,12-13,16H,1,4,8,11,14-15,17H2,2H3