S-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino] thiophene-2-carbothioate

Systemtic Name: S-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino] thiophene-2-carbothioate Openeye Name: S-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[[oxo-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]methyl]amino] ester IUPAC Name: S-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C18H12N4O3S2 MolecularWeight: 396.44288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=CS4

InChI

InChI=1S/C18H12N4O3S2/c23-17(15-4-2-8-26-15)27-22-18(24)20-12-5-6-14-13(9-12)21-16(25-14)11-3-1-7-19-10-11/h1-10H,(H2,20,22,24)