N-[4-[[3-chloranyl-4-(1,2-oxazol-5-yl)phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-(1,2-oxazol-5-yl)phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(3-chloro-4-isoxazol-5-yl-phenyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-(5-isoxazolyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-(1,2-oxazol-5-yl)phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(3-chloro-4-isoxazol-5-yl-phenyl)thiocarbamoylamino]phenyl]acetamide Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C3=CC=NO3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C3=CC=NO3)Cl

InChI

InChI=1S/C18H15ClN4O2S/c1-11(24)21-12-2-4-13(5-3-12)22-18(26)23-14-6-7-15(16(19)10-14)17-8-9-20-25-17/h2-10H,1H3,(H,21,24)(H2,22,23,26)