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

Systemtic Name: S-[[4-[6-(acetamidomethyl)pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-[6-(acetamidomethyl)-2-pyridyl]thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-[6-(acetamidomethyl)-2-pyridinyl]-2-thiazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[4-[6-(acetamidomethyl)pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[6-(acetamidomethyl)-2-pyridyl]thiazol-2-yl]carbamoylamino] ester Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3S2/c1-12(25)20-10-14-8-5-9-15(21-14)16-11-28-19(22-16)23-18(27)24-29-17(26)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,20,25)(H2,22,23,24,27)