3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-(1,3-benzothiazol-2-yl)-3-[[2,4-bis(fluoranyl)phenyl]amino]prop-2-enenitrile

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-(1,3-benzothiazol-2-yl)-3-[[2,4-bis(fluoranyl)phenyl]amino]prop-2-enenitrile Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-2-(1,3-benzothiazol-2-yl)-3-(2,4-difluoroanilino)prop-2-enenitrile CAS Name: 3-[[2-(1-azepanyl)-2-oxoethyl]thio]-2-(1,3-benzothiazol-2-yl)-3-(2,4-difluoroanilino)-2-propenenitrile IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2-(1,3-benzothiazol-2-yl)-3-(2,4-difluoroanilino)prop-2-enenitrile Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-2-(1,3-benzothiazol-2-yl)-3-(2,4-difluoroanilino)acrylonitrile Formula: C24H22F2N4OS2 MolecularWeight: 484.584486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC(=C(C#N)C2=NC3=CC=CC=C3S2)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC(=C(C#N)C2=NC3=CC=CC=C3S2)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H22F2N4OS2/c25-16-9-10-19(18(26)13-16)28-23(32-15-22(31)30-11-5-1-2-6-12-30)17(14-27)24-29-20-7-3-4-8-21(20)33-24/h3-4,7-10,13,28H,1-2,5-6,11-12,15H2