N-[4-[[4-(1-azidoethyl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[4-(1-azidoethyl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[4-(1-azidoethyl)-3-chloro-phenyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[4-(1-azidoethyl)-3-chloroanilino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[4-(1-azidoethyl)-3-chlorophenyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[4-(1-azidoethyl)-3-chloro-phenyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C20H17ClN6O2S MolecularWeight: 440.90598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)Cl)N=[N+]=[N-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)Cl)N=[N+]=[N-]

InChI

InChI=1S/C20H17ClN6O2S/c1-12(26-27-22)16-9-8-15(11-17(16)21)25-20(30)24-14-6-4-13(5-7-14)23-19(28)18-3-2-10-29-18/h2-12H,1H3,(H,23,28)(H2,24,25,30)