N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C18H16ClFN2O2S2 MolecularWeight: 410.913243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16ClFN2O2S2/c1-24-14-9-8-13(19)17-16(14)22-18(26-17)21-15(23)3-2-10-25-12-6-4-11(20)5-7-12/h4-9H,2-3,10H2,1H3,(H,21,22,23)