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

Systemtic Name: 4-[2-(1H-indol-3-yl)ethanoylamino]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Openeye Name: 4-[[2-(1H-indol-3-yl)acetyl]amino]-3,3-dimethyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butanamide CAS Name: 4-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide IUPAC Name: 4-[[2-(1H-indol-3-yl)acetyl]amino]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Traditional Name: 4-[[2-(1H-indol-3-yl)acetyl]amino]-3,3-dimethyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butyramide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=NNC(=S)S1)CNC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(CC(=O)NC1=NNC(=S)S1)CNC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H21N5O2S2/c1-18(2,8-15(25)21-16-22-23-17(26)27-16)10-20-14(24)7-11-9-19-13-6-4-3-5-12(11)13/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,24)(H,23,26)(H,21,22,25)