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

Systemtic Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C20H19N7O2S2 MolecularWeight: 453.54056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=NC3=CC=CC=C3N2)NC(=O)NC4=NNC(=S)S4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=NC3=CC=CC=C3N2)NC(=O)NC4=NNC(=S)S4

InChI

InChI=1S/C20H19N7O2S2/c28-17(21-11-16-22-13-8-4-5-9-14(13)23-16)15(10-12-6-2-1-3-7-12)24-18(29)25-19-26-27-20(30)31-19/h1-9,15H,10-11H2,(H,21,28)(H,22,23)(H,27,30)(H2,24,25,26,29)/t15-/m0/s1