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

Systemtic Name: (2S)-N-(3-oxidanylpropyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-(3-hydroxypropyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-N-(3-hydroxypropyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(3-hydroxypropyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-(3-hydroxypropyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCO)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C15H19N5O3S2/c21-8-4-7-16-12(22)11(9-10-5-2-1-3-6-10)17-13(23)18-14-19-20-15(24)25-14/h1-3,5-6,11,21H,4,7-9H2,(H,16,22)(H,20,24)(H2,17,18,19,23)/t11-/m0/s1