N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C19H19ClN2O2S2/c1-12-10-13(20)11-16-18(12)22-19(26-16)21-17(23)4-3-9-25-15-7-5-14(24-2)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)