3-methyl-2-[[3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide

Systemtic Name: 3-methyl-2-[[3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Openeye Name: 3-methyl-2-[[3-phenyl-2-(8-quinolylsulfonylamino)propanoyl]amino]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butanamide CAS Name: 3-methyl-2-[[1-oxo-3-phenyl-2-(8-quinolinylsulfonylamino)propyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide IUPAC Name: 3-methyl-2-[[3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Traditional Name: 3-methyl-2-[[3-phenyl-2-(8-quinolylsulfonylamino)propanoyl]amino]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butyramide Formula: C25H26N6O4S3 MolecularWeight: 570.70674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H26N6O4S3/c1-15(2)20(23(33)28-24-29-30-25(36)37-24)27-22(32)18(14-16-8-4-3-5-9-16)31-38(34,35)19-12-6-10-17-11-7-13-26-21(17)19/h3-13,15,18,20,31H,14H2,1-2H3,(H,27,32)(H,30,36)(H,28,29,33)