S-[[4-[6-[(propanoylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-[6-[(propanoylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-[6-[(propanoylamino)methyl]-2-pyridyl]thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[oxo-[[4-[6-[(1-oxopropylamino)methyl]-2-pyridinyl]-2-thiazolyl]amino]methyl]amino] ester IUPAC Name: S-[[4-[6-[(propanoylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[6-(propionamidomethyl)-2-pyridyl]thiazol-2-yl]carbamoylamino] ester Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O3S2/c1-2-17(26)21-11-14-9-6-10-15(22-14)16-12-29-20(23-16)24-19(28)25-30-18(27)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,21,26)(H2,23,24,25,28)