N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C18H17ClN2O2S2 MolecularWeight: 392.92278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)NC(=O)CCSC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)NC(=O)CCSC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C18H17ClN2O2S2/c1-11-14(19)7-8-15-17(11)21-18(25-15)20-16(22)9-10-24-13-5-3-12(23-2)4-6-13/h3-8H,9-10H2,1-2H3,(H,20,21,22)