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

Systemtic Name: (2S)-N-(cyclohexylmethyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-(cyclohexylmethyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-N-(cyclohexylmethyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(cyclohexylmethyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-(cyclohexylmethyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1CCC(CC1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C19H25N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1