(E)-2-cyano-3-(4-ethylphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-ethylphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-ethylphenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-ethylphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-ethylphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-ethylphenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C#N)C(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

InChI

InChI=1S/C22H21N3OS2/c1-4-15-5-7-16(8-6-15)11-17(13-23)21(26)25(14(2)3)18-9-10-19-20(12-18)28-22(27)24-19/h5-12,14H,4H2,1-3H3,(H,24,27)/b17-11+