4-(1,3-benzothiazol-2-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]butyramide Formula: C20H18N4OS3 MolecularWeight: 426.57812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4OS3/c25-17(11-6-12-18-21-15-9-4-5-10-16(15)27-18)22-19-23-24-20(28-19)26-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,22,23,25)