ethyl 3-[[3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoyl]amino]propanoate

Systemtic Name: ethyl 3-[[3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoyl]amino]propanoate Openeye Name: ethyl 3-[[3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoyl]amino]propanoate Traditional Name: 3-[[3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoyl]amino]propionic acid ethyl ester Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S2/c1-2-26-13(23)8-9-18-14(24)12(10-11-6-4-3-5-7-11)19-15(25)20-16-21-22-17(27)28-16/h3-7,12H,2,8-10H2,1H3,(H,18,24)(H,22,27)(H2,19,20,21,25)