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

Systemtic Name: (2S)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-3-phenyl-N-(3-pyridylmethyl)-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]-3-phenyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-3-phenyl-N-(3-pyridylmethyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CN=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CN=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C18H18N6O2S2/c25-15(20-11-13-7-4-8-19-10-13)14(9-12-5-2-1-3-6-12)21-16(26)22-17-23-24-18(27)28-17/h1-8,10,14H,9,11H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t14-/m0/s1