4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]butyramide Formula: C24H22FN3O4S3 MolecularWeight: 531.642583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O4S3/c1-32-21-13-10-17(15-20(21)28-35(30,31)18-11-8-16(25)9-12-18)26-23(29)7-4-14-33-24-27-19-5-2-3-6-22(19)34-24/h2-3,5-6,8-13,15,28H,4,7,14H2,1H3,(H,26,29)