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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C19H19ClN2O3S2/c1-24-12-5-7-13(8-6-12)26-11-3-4-16(23)21-19-22-17-15(25-2)10-9-14(20)18(17)27-19/h5-10H,3-4,11H2,1-2H3,(H,21,22,23)