tert-butyl 4-(furo[3,2-c]pyridin-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: tert-butyl 4-(furo[3,2-c]pyridin-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2-furo[3,2-c]pyridinyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(furo[3,2-c]pyridine-2-carbonylthiocarbamoylamino)benzoic acid tert-butyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CN=C3

InChI

InChI=1S/C20H19N3O4S/c1-20(2,3)27-18(25)12-4-6-14(7-5-12)22-19(28)23-17(24)16-10-13-11-21-9-8-15(13)26-16/h4-11H,1-3H3,(H2,22,23,24,28)