N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S3/c1-28-13-11-18(24-30(26,27)14-12-16-7-3-2-4-8-16)21(25)22-15-20-23-17-9-5-6-10-19(17)29-20/h2-10,12,14,18,24H,11,13,15H2,1H3,(H,22,25)/b14-12+