N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O3S/c1-33-22-11-9-17(15-20(22)28)24-30-21-16-19(10-12-23(21)34-24)29-26(35)31-25(32)27(13-5-6-14-27)18-7-3-2-4-8-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H2,29,31,32,35)