4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(4-methoxyphenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(4-methoxyphenyl)thiazol-2-yl]butyramide Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O2S3/c1-26-15-10-8-14(9-11-15)17-13-28-20(22-17)24-19(25)7-4-12-27-21-23-16-5-2-3-6-18(16)29-21/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,24,25)