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

Systemtic Name: (2S)-N-butyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-butyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-N-butyl-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-butyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-butyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C16H21N5O2S2/c1-2-3-9-17-13(22)12(10-11-7-5-4-6-8-11)18-14(23)19-15-20-21-16(24)25-15/h4-8,12H,2-3,9-10H2,1H3,(H,17,22)(H,21,24)(H2,18,19,20,23)/t12-/m0/s1