N-methyl-3-phenyl-N-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]methyl]propanamide

Systemtic Name: N-methyl-3-phenyl-N-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]methyl]propanamide Openeye Name: N-methyl-3-phenyl-N-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]methyl]propanamide CAS Name: N-methyl-N-[[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]methyl]-3-phenylpropanamide IUPAC Name: N-methyl-3-phenyl-N-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]methyl]propanamide Traditional Name: N-methyl-3-phenyl-N-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]methyl]propionamide Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CNC(=O)NC1=NNC(=S)S1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN(CNC(=O)NC1=NNC(=S)S1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N5O2S2/c1-19(11(20)8-7-10-5-3-2-4-6-10)9-15-12(21)16-13-17-18-14(22)23-13/h2-6H,7-9H2,1H3,(H,18,22)(H2,15,16,17,21)