N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C17H14Cl2N2O2S2 MolecularWeight: 413.34126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O2S2/c1-23-10-2-4-11(5-3-10)24-9-8-14(22)20-17-21-15-12(18)6-7-13(19)16(15)25-17/h2-7H,8-9H2,1H3,(H,20,21,22)