4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C18H22N4OS3 MolecularWeight: 406.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N4OS3/c1-3-12(4-2)16-21-22-17(26-16)20-15(23)10-7-11-24-18-19-13-8-5-6-9-14(13)25-18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,20,22,23)