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

Systemtic Name: (2S)-N-phenethyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-phenethyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-N-phenethyl-3-phenylpropanamide IUPAC Name: (2S)-N-phenethyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-phenethyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C20H21N5O2S2/c26-17(21-12-11-14-7-3-1-4-8-14)16(13-15-9-5-2-6-10-15)22-18(27)23-19-24-25-20(28)29-19/h1-10,16H,11-13H2,(H,21,26)(H,25,28)(H2,22,23,24,27)/t16-/m0/s1