N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-3-(benzenesulfonyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-3-besyl-propionamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-3-13-23-18-11-10-16(4-2)15-19(18)27-21(23)22-20(24)12-14-28(25,26)17-8-6-5-7-9-17/h3,5-11,15H,1,4,12-14H2,2H3