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

Systemtic Name: 4-(1H-indol-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1H-indol-3-yl)butanamide CAS Name: 4-(1H-indol-3-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1H-indol-3-yl)butanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(1H-indol-3-yl)butyramide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS2/c26-19(12-6-9-16-13-22-18-11-5-4-10-17(16)18)23-20-24-25-21(28-20)27-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,22H,6,9,12,14H2,(H,23,24,26)